(3,4-dimethoxyphenyl)acetonitrile

2-(3,4-Dimethoxyphenyl)acetonitrile
3,4-Dimethoxybenzeneacetonitrile
3,4-Dimethoxybenzyl cyanide
3,4-Methyleneoxyphenyl acetonitrile
Acetonitrile, (3,4-dimethoxyphenyl)-
Benzeneacetonitrile, 3,4-dimethoxy-
Homoveratronitrile
Veratryl cyanide

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ASLSUMISAQDOOB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3
IUPAC name chemrof:IUPAC_name	(3,4-dimethoxyphenyl)acetonitrile
Molecular formula chemrof:molecular_formula	C10H11NO2
Molecular mass chemrof:molecular_mass	177.203
Monoisotopic mass chemrof:monoisotopic_mass	177.078979
SMILES string chemrof:smiles_string	COc1ccc(CC#N)cc1OC

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=93-17-4	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.024	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID30239220	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6324	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/62C8S706SP	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.172C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/66727	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27263471	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
122677dc-9ba1-4c51-a210-8a5da6e3887e	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
05c752f5-edb4-4d6c-8cbc-8764a9e46a23	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2b621287-8207-4f67-aeb0-f769698be723	Environmental → Air → Indoor	EF 3.1	kg	2
b0356c75-5091-47f1-ab74-14bf02c5ff5d	Environmental → Air → Long-term	EF 3.1	kg	0
7c0cfca4-7667-4121-980d-b854096dc4d5	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
fb20e090-53f9-4b50-8a0c-b0f1646064c6	Environmental → Air → Unknown	EF 3.1	kg	2
b94083b9-f3fb-4cb4-a83b-beecd3d897e1	Environmental → Ground → Agricultural	EF 3.1	kg	2
ab20f128-a9ba-486e-81cd-26e1d5779401	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
5a16540c-b706-4dbb-b5ee-5ffdb3b75f33	Environmental → Ground → Unknown	EF 3.1	kg	2
89d438e3-d9e5-4cdb-8ecf-6c05dbecb6cd	Environmental → Water → Long-term	EF 3.1	kg	0
3d181aa7-9cfe-441d-b329-3c6039585eee	Environmental → Water → Ocean	EF 3.1	kg	2
9f50ea32-3187-4e16-bf95-62bcab91ecf1	Environmental → Water → Surface water	EF 3.1	kg	2
e6ae6a8d-d144-458f-a9ae-1f3d47be6c96	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

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(3,4-dimethoxyphenyl)acetonitrile

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