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Details

Stereochemistry ACHIRAL
Molecular Formula 2C9H7O3.Ca
Molecular Weight 366.378
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM 2-OXO-3-PHENYLPROPIONATE

SMILES

[Ca++].[O-]C(=O)C(=O)CC1=CC=CC=C1.[O-]C(=O)C(=O)CC2=CC=CC=C2

InChI

InChIKey=BKMMOJVSLBZNTK-UHFFFAOYSA-L
InChI=1S/2C9H8O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,11,12);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H7O3
Molecular Weight 163.1501
Charge -1
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 Fri Dec 15 18:17:24 GMT 2023
Edited
by admin
on Fri Dec 15 18:17:24 GMT 2023
Record UNII
7V9Q5UU79A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM 2-OXO-3-PHENYLPROPIONATE
Systematic Name English
BENZENEPROPANOIC ACID, .ALPHA.-OXO-, CALCIUM SALT (2:1)
Systematic Name English
BENZENEPROPANOIC ACID, .ALPHA.-OXO-, CALCIUM SALT
Systematic Name English
Calcium 2-oxo-3-phenylpropionate [WHO-DD]
Common Name English
PHENYLPYRORACEMIC ACID CALCIUM SALT
Systematic Name English
.ALPHA.-KETOPHENYLALANINE CALCIUM
Common Name English
PHENYLPYRUVIC ACID CALCIUM SALT
Common Name English
ALPHA-KETOPHENYLALANINE CALCIUM
Common Name English
Code System Code Type Description
FDA UNII
7V9Q5UU79A
Created by admin on Fri Dec 15 18:17:24 GMT 2023 , Edited by admin on Fri Dec 15 18:17:24 GMT 2023
PRIMARY
CAS
51828-93-4
Created by admin on Fri Dec 15 18:17:24 GMT 2023 , Edited by admin on Fri Dec 15 18:17:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID00199786
Created by admin on Fri Dec 15 18:17:24 GMT 2023 , Edited by admin on Fri Dec 15 18:17:24 GMT 2023
PRIMARY
SMS_ID
100000128755
Created by admin on Fri Dec 15 18:17:24 GMT 2023 , Edited by admin on Fri Dec 15 18:17:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
257-455-5
Created by admin on Fri Dec 15 18:17:24 GMT 2023 , Edited by admin on Fri Dec 15 18:17:24 GMT 2023
PRIMARY
EVMPD
SUB36235
Created by admin on Fri Dec 15 18:17:24 GMT 2023 , Edited by admin on Fri Dec 15 18:17:24 GMT 2023
PRIMARY
PUBCHEM
4644093
Created by admin on Fri Dec 15 18:17:24 GMT 2023 , Edited by admin on Fri Dec 15 18:17:24 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE