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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O
Molecular Weight 174.239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(Phenylmethylene)-2-pentanone

SMILES

CC\C(=C/C1=CC=CC=C1)C(C)=O

InChI

InChIKey=QQKHASOJMBEMJE-FMIVXFBMSA-N
InChI=1S/C12H14O/c1-3-12(10(2)13)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+

HIDE SMILES / InChI

Molecular Formula C12H14O
Molecular Weight 174.239
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:58:50 GMT 2023
Edited
by admin
on Sat Dec 16 11:58:50 GMT 2023
Record UNII
D5ZKJ773UV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Phenylmethylene)-2-pentanone
Systematic Name English
Methyl α-ethylstyryl ketone
Common Name English
2-Pentanone, 3-(phenylmethylene)-, (3E)-
Systematic Name English
2-Pentanone, 3-(phenylmethylene)-, (E)-
Systematic Name English
2-Pentanone, 3-benzylidene-
Systematic Name English
trans-3-Benzylidene-2-pentanone
Systematic Name English
(3E)-3-(Phenylmethylene)-2-pentanone
Systematic Name English
2-PENTANONE, 3-(PHENYLMETHYLENE)-
Systematic Name English
Code System Code Type Description
CAS
69390-24-5
Created by admin on Sat Dec 16 11:58:50 GMT 2023 , Edited by admin on Sat Dec 16 11:58:50 GMT 2023
PRIMARY
PUBCHEM
5374397
Created by admin on Sat Dec 16 11:58:50 GMT 2023 , Edited by admin on Sat Dec 16 11:58:50 GMT 2023
PRIMARY
CAS
3437-89-6
Created by admin on Sat Dec 16 11:58:50 GMT 2023 , Edited by admin on Sat Dec 16 11:58:50 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
D5ZKJ773UV
Created by admin on Sat Dec 16 11:58:50 GMT 2023 , Edited by admin on Sat Dec 16 11:58:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID5063025
Created by admin on Sat Dec 16 11:58:50 GMT 2023 , Edited by admin on Sat Dec 16 11:58:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-341-6
Created by admin on Sat Dec 16 11:58:50 GMT 2023 , Edited by admin on Sat Dec 16 11:58:50 GMT 2023
PRIMARY