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Details

Stereochemistry RACEMIC
Molecular Formula C9H9NO
Molecular Weight 147.1739
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-Hydroxyphenyl)propiononitrile

SMILES

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

InChI

InChIKey=BTNSSVRIZUUYGM-UHFFFAOYSA-N
InChI=1S/C9H9NO/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5,7,11H,1H3

HIDE SMILES / InChI

Molecular Formula C9H9NO
Molecular Weight 147.1739
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 Wed Apr 02 11:10:35 GMT 2025
Edited
by admin
on Wed Apr 02 11:10:35 GMT 2025
Record UNII
DZ523529KM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-Hydroxyphenyl)propiononitrile
Common Name English
4-Hydroxy-?-methylbenzeneacetonitrile
Preferred Name English
Benzeneacetonitrile, 4-hydroxy-?-methyl-
Systematic Name English
Code System Code Type Description
CAS
21850-61-3
Created by admin on Wed Apr 02 11:10:35 GMT 2025 , Edited by admin on Wed Apr 02 11:10:35 GMT 2025
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FDA UNII
DZ523529KM
Created by admin on Wed Apr 02 11:10:35 GMT 2025 , Edited by admin on Wed Apr 02 11:10:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID40944459
Created by admin on Wed Apr 02 11:10:35 GMT 2025 , Edited by admin on Wed Apr 02 11:10:35 GMT 2025
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PUBCHEM
89543
Created by admin on Wed Apr 02 11:10:35 GMT 2025 , Edited by admin on Wed Apr 02 11:10:35 GMT 2025
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