U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H11O4P
Molecular Weight 214.155
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dimethyl benzoylphosphonate

SMILES

COP(=O)(OC)C(=O)C1=CC=CC=C1

InChI

InChIKey=TWNVJLOWMINFMB-UHFFFAOYSA-N
InChI=1S/C9H11O4P/c1-12-14(11,13-2)9(10)8-6-4-3-5-7-8/h3-7H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H11O4P
Molecular Weight 214.155
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 20:05:45 GMT 2025
Edited
by admin
on Tue Apr 01 20:05:45 GMT 2025
Record UNII
P3G3Z7DH4F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dimethyl benzoylphosphonate
Systematic Name English
NSC-82396
Preferred Name English
Dimethyl P-benzoylphosphonate
Systematic Name English
Phosphonic acid, benzoyl-, dimethyl ester
Systematic Name English
Phosphonic acid, P-benzoyl-, dimethyl ester
Systematic Name English
Benzoylphosphonic acid dimethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
P3G3Z7DH4F
Created by admin on Tue Apr 01 20:05:45 GMT 2025 , Edited by admin on Tue Apr 01 20:05:45 GMT 2025
PRIMARY
PUBCHEM
256107
Created by admin on Tue Apr 01 20:05:45 GMT 2025 , Edited by admin on Tue Apr 01 20:05:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID00171067
Created by admin on Tue Apr 01 20:05:45 GMT 2025 , Edited by admin on Tue Apr 01 20:05:45 GMT 2025
PRIMARY
CAS
18106-71-3
Created by admin on Tue Apr 01 20:05:45 GMT 2025 , Edited by admin on Tue Apr 01 20:05:45 GMT 2025
PRIMARY
NSC
82396
Created by admin on Tue Apr 01 20:05:45 GMT 2025 , Edited by admin on Tue Apr 01 20:05:45 GMT 2025
PRIMARY