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Details

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

SHOW SMILES / InChI
Structure of 4-Methoxymandelonitrile, (S)-(-)-

SMILES

COC1=CC=C(C=C1)[C@H](O)C#N

InChI

InChIKey=WLDAAMXETLHTER-SECBINFHSA-N
InChI=1S/C9H9NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,1H3/t9-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(S)-(-)-4-Methoxymandelonitrile
Preferred Name English
4-Methoxymandelonitrile, (S)-(-)-
Systematic Name English
Benzeneacetonitrile, ?-hydroxy-4-methoxy-, (?S)-
Systematic Name English
?-Hydroxy-4-methoxybenzeneacetonitrile, (?S)-
Systematic Name English
(?S)-?-Hydroxy-4-methoxybenzeneacetonitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
9815290
Created by admin on Wed Apr 02 20:52:38 GMT 2025 , Edited by admin on Wed Apr 02 20:52:38 GMT 2025
PRIMARY
FDA UNII
PTR3V9B3E8
Created by admin on Wed Apr 02 20:52:38 GMT 2025 , Edited by admin on Wed Apr 02 20:52:38 GMT 2025
PRIMARY
CAS
139406-83-0
Created by admin on Wed Apr 02 20:52:38 GMT 2025 , Edited by admin on Wed Apr 02 20:52:38 GMT 2025
PRIMARY
NIH
NCATS
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