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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14O4
Molecular Weight 234.2479
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,7-Dioxo-7-phenylheptanoic acid

SMILES

OC(=O)CCC(=O)CCC(=O)C1=CC=CC=C1

InChI

InChIKey=DCNLNHPQCXZOHD-UHFFFAOYSA-N
InChI=1S/C13H14O4/c14-11(7-9-13(16)17)6-8-12(15)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C13H14O4
Molecular Weight 234.2479
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 17:48:11 GMT 2025
Edited
by admin
on Tue Apr 01 17:48:11 GMT 2025
Record UNII
PUH46C48B9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzeneheptanoic acid, ?,?-dioxo-
Preferred Name English
4,7-Dioxo-7-phenylheptanoic acid
Systematic Name English
?,?-Dioxobenzeneheptanoic acid
Systematic Name English
Hexanoic acid, 6-benzoyl-4-oxo-
Systematic Name English
NSC-39534
Code English
Code System Code Type Description
CAS
6336-53-4
Created by admin on Tue Apr 01 17:48:11 GMT 2025 , Edited by admin on Tue Apr 01 17:48:11 GMT 2025
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FDA UNII
PUH46C48B9
Created by admin on Tue Apr 01 17:48:11 GMT 2025 , Edited by admin on Tue Apr 01 17:48:11 GMT 2025
PRIMARY
ECHA (EC/EINECS)
228-719-7
Created by admin on Tue Apr 01 17:48:11 GMT 2025 , Edited by admin on Tue Apr 01 17:48:11 GMT 2025
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NSC
39534
Created by admin on Tue Apr 01 17:48:11 GMT 2025 , Edited by admin on Tue Apr 01 17:48:11 GMT 2025
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PUBCHEM
80634
Created by admin on Tue Apr 01 17:48:11 GMT 2025 , Edited by admin on Tue Apr 01 17:48:11 GMT 2025
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EPA CompTox
DTXSID10212753
Created by admin on Tue Apr 01 17:48:11 GMT 2025 , Edited by admin on Tue Apr 01 17:48:11 GMT 2025
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