U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO
Molecular Weight 133.1473
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYBENZYL CYANIDE

SMILES

OC1=CC=C(CC#N)C=C1

InChI

InChIKey=AYKYOOPFBCOXSL-UHFFFAOYSA-N
InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2

HIDE SMILES / InChI

Molecular Formula C8H7NO
Molecular Weight 133.1473
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Novel phenolic glycosides, adenophorasides A-E, from Adenophora roots.
2010-07
Design of group IIA secreted/synovial phospholipase A(2) inhibitors: an oxadiazolone derivative suppresses chondrocyte prostaglandin E(2) secretion.
2010-06-01
Sinapis phylogeny and evolution of glucosinolates and specific nitrile degrading enzymes.
2008-12
A critical quantum chemical and experimental study of the potentiality of direct labeling of the CN group with [(99m)Tc(CO)(3)](+) or [(186/188)Re(CO)(3)](+) in CN containing biomolecules.
2008-10
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.
2008
Host plant-dependent metabolism of 4-hydroxybenzylglucosinolate in Pieris rapae: substrate specificity and effects of genetic modification and plant nitrile hydratase.
2007-11
[Study on intermediate products in chloroform formation from L-tyrosine treated with sodium hypochlorite].
2007-08
Antioxidants from rape (Brassica campestris vir. Japonica Hara) oil cake.
2004-06
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:18:45 GMT 2025
Edited
by admin
on Mon Mar 31 19:18:45 GMT 2025
Record UNII
18Q5J224RM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYBENZYL CYANIDE
Systematic Name English
NSC-76080
Preferred Name English
4-HYDROXYBENZENEACETONITRILE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90161856
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
NSC
76080
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
CHEBI
16667
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
ECHA (EC/EINECS)
238-046-0
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
CAS
14191-95-8
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
FDA UNII
18Q5J224RM
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
PUBCHEM
26548
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY