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(±)-2-6(methoxynaphthalen-2-yl)propanoic Acid

fo-4fc6eb978a285893

Identity

Type
Neutral molecule
CAS
26159-31-9
EC
247-485-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (±)-2-6(methoxynaphthalen-2-yl)propanoic Acid

Alternative labels

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CMWTZPSULFXXJA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
IUPAC name chemrof:IUPAC_name (±)-2-(6-Methoxy-2-naphthalenyl)propionic acid
Molecular formula chemrof:molecular_formula C14H14O3
Molecular mass chemrof:molecular_mass 230.263
Monoisotopic mass chemrof:monoisotopic_mass 230.094294
SMILES string chemrof:smiles_string COc1ccc2cc(C(C)C(=O)O)ccc2c1

Known URLs

14

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=23981-80-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26159-31-9 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:91939 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.776 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.153 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70860274 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL12952 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T5ADC7PXJ9 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245654 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J242.713C enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA450595 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/6CXCL27JWX2P enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1302 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27163737 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f272ff81-4a08-41f5-8441-212dcdf6333b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e6908706-1cb7-4720-ac43-6352372fec89 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c3b92aa4-b397-4372-8e7b-a6a632229f21 Environmental → Air → Indoor EF 3.1 kg 2
d476e1ae-7981-4c1e-973e-873ea54f80db Environmental → Air → Long-term EF 3.1 kg 0
c53eb1fc-f81f-4321-898a-0937b700108c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3719b059-2f0b-4d82-96d1-95080cdd913c Environmental → Air → Unknown EF 3.1 kg 2
eef7f5b2-6798-4c6c-80ce-f036061ea8af Environmental → Ground → Agricultural EF 3.1 kg 2
afa126c8-ae2f-480c-abe5-433e79d865d9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
13a41306-6cf7-4ee5-92bb-f3b4f1a13b2e Environmental → Ground → Unknown EF 3.1 kg 2
a499a008-f722-4648-bd47-3c8888cc6fb2 Environmental → Water → Long-term EF 3.1 kg 0
dcb542e0-5f47-4f0e-b3e7-9ba77c8362fc Environmental → Water → Ocean EF 3.1 kg 2
bc7034eb-dc40-4add-b681-e085f5579489 Environmental → Water → Surface water EF 3.1 kg 2
d7ebe5dd-9dc3-45e8-8ddb-4874145b1c23 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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}

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