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Details

Stereochemistry RACEMIC
Molecular Formula C9H9NO2
Molecular Weight 163.1733
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methoxymandelonitrile

SMILES

COC1=CC=C(C=C1)C(O)C#N

InChI

InChIKey=WLDAAMXETLHTER-UHFFFAOYSA-N
InChI=1S/C9H9NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,1H3

HIDE SMILES / InChI

Molecular Formula C9H9NO2
Molecular Weight 163.1733
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:39:11 GMT 2025
Edited
by admin
on Tue Apr 01 19:39:11 GMT 2025
Record UNII
8FXE7E3APL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Methoxymandelonitrile
Systematic Name English
NSC-32393
Preferred Name English
Benzeneacetonitrile, ?-hydroxy-4-methoxy-
Systematic Name English
(4-Methoxyphenyl)glycolonitrile
Systematic Name English
?-Hydroxy-4-methoxybenzeneacetonitrile
Systematic Name English
Mandelonitrile, p-methoxy-
Common Name English
Code System Code Type Description
FDA UNII
8FXE7E3APL
Created by admin on Tue Apr 01 19:39:11 GMT 2025 , Edited by admin on Tue Apr 01 19:39:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID501269541
Created by admin on Tue Apr 01 19:39:11 GMT 2025 , Edited by admin on Tue Apr 01 19:39:11 GMT 2025
PRIMARY
PUBCHEM
36571
Created by admin on Tue Apr 01 19:39:11 GMT 2025 , Edited by admin on Tue Apr 01 19:39:11 GMT 2025
PRIMARY
CAS
33646-40-1
Created by admin on Tue Apr 01 19:39:11 GMT 2025 , Edited by admin on Tue Apr 01 19:39:11 GMT 2025
PRIMARY
ECHA (EC/EINECS)
251-614-2
Created by admin on Tue Apr 01 19:39:11 GMT 2025 , Edited by admin on Tue Apr 01 19:39:11 GMT 2025
PRIMARY
NSC
32393
Created by admin on Tue Apr 01 19:39:11 GMT 2025 , Edited by admin on Tue Apr 01 19:39:11 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE