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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9ClO
Molecular Weight 168.62
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Phenylpropionyl chloride

SMILES

ClC(=O)CCC1=CC=CC=C1

InChI

InChIKey=MFEILWXBDBCWKF-UHFFFAOYSA-N
InChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

HIDE SMILES / InChI

Molecular Formula C9H9ClO
Molecular Weight 168.62
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 Sat Dec 16 09:44:41 GMT 2023
Edited
by admin
on Sat Dec 16 09:44:41 GMT 2023
Record UNII
69V26X8SZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Phenylpropionyl chloride
Systematic Name English
AI3-18968
Code English
NSC-2854
Code English
Benzenepropanoyl chloride
Systematic Name English
Hydrocinnamoyl chloride
Systematic Name English
Code System Code Type Description
NSC
2854
Created by admin on Sat Dec 16 09:44:41 GMT 2023 , Edited by admin on Sat Dec 16 09:44:41 GMT 2023
PRIMARY
CAS
645-45-4
Created by admin on Sat Dec 16 09:44:41 GMT 2023 , Edited by admin on Sat Dec 16 09:44:41 GMT 2023
PRIMARY
PUBCHEM
64801
Created by admin on Sat Dec 16 09:44:41 GMT 2023 , Edited by admin on Sat Dec 16 09:44:41 GMT 2023
PRIMARY
FDA UNII
69V26X8SZE
Created by admin on Sat Dec 16 09:44:41 GMT 2023 , Edited by admin on Sat Dec 16 09:44:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID4060947
Created by admin on Sat Dec 16 09:44:41 GMT 2023 , Edited by admin on Sat Dec 16 09:44:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-443-6
Created by admin on Sat Dec 16 09:44:41 GMT 2023 , Edited by admin on Sat Dec 16 09:44:41 GMT 2023
PRIMARY