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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15NO2
Molecular Weight 205.253
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-2-(2-HYDROXYETHYL)-2-PHENYLBUTYRONITRILE

SMILES

OCCC(CCO)(C#N)C1=CC=CC=C1

InChI

InChIKey=UOZFONUAKNTHHC-UHFFFAOYSA-N
InChI=1S/C12H15NO2/c13-10-12(6-8-14,7-9-15)11-4-2-1-3-5-11/h1-5,14-15H,6-9H2

HIDE SMILES / InChI

Molecular Formula C12H15NO2
Molecular Weight 205.253
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:54:17 GMT 2025
Edited
by admin
on Tue Apr 01 17:54:17 GMT 2025
Record UNII
4UDK632LSJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-211412
Preferred Name English
4-HYDROXY-2-(2-HYDROXYETHYL)-2-PHENYLBUTYRONITRILE
Systematic Name English
.ALPHA.,.ALPHA.-BIS(2-HYDROXYETHYL)BENZENEACETONITRILE
Systematic Name English
BENZENEACETONITRILE, .ALPHA.,.ALPHA.-BIS(2-HYDROXYETHYL)-
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
233-958-5
Created by admin on Tue Apr 01 17:54:17 GMT 2025 , Edited by admin on Tue Apr 01 17:54:17 GMT 2025
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FDA UNII
4UDK632LSJ
Created by admin on Tue Apr 01 17:54:17 GMT 2025 , Edited by admin on Tue Apr 01 17:54:17 GMT 2025
PRIMARY
CAS
10469-27-9
Created by admin on Tue Apr 01 17:54:17 GMT 2025 , Edited by admin on Tue Apr 01 17:54:17 GMT 2025
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EPA CompTox
DTXSID60146650
Created by admin on Tue Apr 01 17:54:17 GMT 2025 , Edited by admin on Tue Apr 01 17:54:17 GMT 2025
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NSC
211412
Created by admin on Tue Apr 01 17:54:17 GMT 2025 , Edited by admin on Tue Apr 01 17:54:17 GMT 2025
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PUBCHEM
82647
Created by admin on Tue Apr 01 17:54:17 GMT 2025 , Edited by admin on Tue Apr 01 17:54:17 GMT 2025
PRIMARY