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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C3H5O2.Ba.H2O
Molecular Weight 301.483
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARIUM PROPIONATE MONOHYDRATE

SMILES

O.[Ba++].CCC([O-])=O.CCC([O-])=O

InChI

InChIKey=KDFOOVIJZBISSV-UHFFFAOYSA-L
InChI=1S/2C3H6O2.Ba.H2O/c2*1-2-3(4)5;;/h2*2H2,1H3,(H,4,5);;1H2/q;;+2;/p-2

HIDE SMILES / InChI

Molecular Formula Ba
Molecular Weight 137.327
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C3H5O2
Molecular Weight 73.0706
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
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 09:04:58 UTC 2023
Edited
by admin
on Sat Dec 16 09:04:58 UTC 2023
Record UNII
S10MN0QIMW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BARIUM PROPIONATE MONOHYDRATE
Systematic Name English
PROPIONIC ACID BARIUM SALT MONOHYDRATE [MI]
Common Name English
PROPANOIC ACID, BARIUM SALT, MONOHYDRATE
Systematic Name English
Code System Code Type Description
CAS
5915-88-8
Created by admin on Sat Dec 16 09:04:58 UTC 2023 , Edited by admin on Sat Dec 16 09:04:58 UTC 2023
PRIMARY
MERCK INDEX
m9209
Created by admin on Sat Dec 16 09:04:58 UTC 2023 , Edited by admin on Sat Dec 16 09:04:58 UTC 2023
PRIMARY Merck Index
FDA UNII
S10MN0QIMW
Created by admin on Sat Dec 16 09:04:58 UTC 2023 , Edited by admin on Sat Dec 16 09:04:58 UTC 2023
PRIMARY
PUBCHEM
72941467
Created by admin on Sat Dec 16 09:04:58 UTC 2023 , Edited by admin on Sat Dec 16 09:04:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE