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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H7NO2
Molecular Weight 149.1467
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE

SMILES

O[C@H](C#N)C1=CC=C(O)C=C1

InChI

InChIKey=HOOOPXDSCKBLFG-MRVPVSSYSA-N
InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H7NO2
Molecular Weight 149.1467
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:31:33 GMT 2025
Edited
by admin
on Tue Apr 01 16:31:33 GMT 2025
Record UNII
9BAR4IH1OD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXY-L-MANDELONITRILE
Preferred Name English
(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE
Systematic Name English
BENZENEACETONITRILE, .ALPHA.,4-DIHYDROXY-, (S)-
Systematic Name English
Code System Code Type Description
DRUG BANK
DB03430
Created by admin on Tue Apr 01 16:31:33 GMT 2025 , Edited by admin on Tue Apr 01 16:31:33 GMT 2025
PRIMARY
CAS
71807-09-5
Created by admin on Tue Apr 01 16:31:33 GMT 2025 , Edited by admin on Tue Apr 01 16:31:33 GMT 2025
PRIMARY
PUBCHEM
440104
Created by admin on Tue Apr 01 16:31:33 GMT 2025 , Edited by admin on Tue Apr 01 16:31:33 GMT 2025
PRIMARY
FDA UNII
9BAR4IH1OD
Created by admin on Tue Apr 01 16:31:33 GMT 2025 , Edited by admin on Tue Apr 01 16:31:33 GMT 2025
PRIMARY