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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12O
Molecular Weight 148.2017
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PHENYLBUTANAL, (S)-

SMILES

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

InChI

InChIKey=MYHGOWDLVRDUFA-VIFPVBQESA-N
InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H12O
Molecular Weight 148.2017
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 Mon Mar 31 18:24:25 GMT 2025
Edited
by admin
on Mon Mar 31 18:24:25 GMT 2025
Record UNII
EAA5J1IY9C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENEPROPANAL, .BETA.-METHYL-, (.BETA.S)-
Preferred Name English
3-PHENYLBUTANAL, (S)-
Systematic Name English
(S)-3-PHENYLBUTYRALDEHYDE
Systematic Name English
BENZENEPROPANAL, .BETA.-METHYL-, (S)-
Systematic Name English
(S)-(+)-3-PHENYLBUTANAL
Systematic Name English
(S)-(+)-PHENYLBUTANAL
Systematic Name English
(S)-3-PHENYLBUTANAL
Systematic Name English
(+)-3-PHENYLBUTYRALDEHYDE
Systematic Name English
Code System Code Type Description
FDA UNII
EAA5J1IY9C
Created by admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
PRIMARY
CAS
53531-19-4
Created by admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
PRIMARY
PUBCHEM
12255404
Created by admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
PRIMARY
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