4-cyanophenyl Acetate

4-(Acetyloxy)benzonitrile
4-Acetoxybenzonitrile
Benzonitrile, 4-(acetyloxy)-
Benzonitrile, p-hydroxy-, acetate
Benzonitrile, p-hydroxy-, acetate (ester)
p-Acetoxybenzonitrile
p-Cyanophenyl acetate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CJGXWABHYYJNJH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H7NO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,1H3
IUPAC name chemrof:IUPAC_name	4-cyanophenyl Acetate
Molecular formula chemrof:molecular_formula	C9H7NO2
Molecular mass chemrof:molecular_mass	161.16
Monoisotopic mass chemrof:monoisotopic_mass	161.047678
SMILES string chemrof:smiles_string	CC(=O)Oc1ccc(C#N)cc1

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=13031-41-9	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.032.616	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8027741	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EEL1PCP8AM	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J270.066B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/83062	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27277137	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
1d21f06a-031d-4d95-a813-ff8bb9749beb	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
70015e19-de89-4136-bd68-800a553fc2d0	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
61818d85-767c-4ae1-b9b9-07215ae32b9d	Environmental → Air → Indoor	EF 3.1	kg	2
1e7a3e60-ef3f-40d8-a073-a81afe8c48ff	Environmental → Air → Long-term	EF 3.1	kg	0
3804b4f3-d907-48a4-8130-a4de49324061	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
52282a6c-e147-45d1-9f66-b1b3cf06adf2	Environmental → Air → Unknown	EF 3.1	kg	2
c8aa3f50-ed8a-4bc2-a740-22cca64d37ea	Environmental → Ground → Agricultural	EF 3.1	kg	2
6011e44b-2255-475d-95c8-0e3bc6c0940d	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6f2d887b-1bda-4b3e-8ce8-53595f3a3537	Environmental → Ground → Unknown	EF 3.1	kg	2
e8729cb7-95c1-4033-b40c-ae40e602681f	Environmental → Water → Long-term	EF 3.1	kg	0
fb100983-dec2-4bca-a8af-96ac0f8c13dd	Environmental → Water → Ocean	EF 3.1	kg	2
7f776c7e-6774-443e-bd59-52e33485dc71	Environmental → Water → Surface water	EF 3.1	kg	2
f837664e-0d53-4ffa-a786-47fa1a2490ad	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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4-cyanophenyl Acetate

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