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Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H11O2.Ca
Molecular Weight 270.379
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM HEXANOATE

SMILES

[Ca++].CCCCCC([O-])=O.CCCCCC([O-])=O

InChI

InChIKey=BSJIICUVGMPYSD-UHFFFAOYSA-L
InChI=1S/2C6H12O2.Ca/c2*1-2-3-4-5-6(7)8;/h2*2-5H2,1H3,(H,7,8);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C6H11O2
Molecular Weight 115.1503
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 01:32:05 UTC 2023
Edited
by admin
on Thu Jul 06 01:32:05 UTC 2023
Record UNII
C2Q55TXK3R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM HEXANOATE
Systematic Name English
CALCIUM N-HEXANOATE
Common Name English
Code System Code Type Description
FDA UNII
C2Q55TXK3R
Created by admin on Thu Jul 06 01:32:06 UTC 2023 , Edited by admin on Thu Jul 06 01:32:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID70192002
Created by admin on Thu Jul 06 01:32:06 UTC 2023 , Edited by admin on Thu Jul 06 01:32:06 UTC 2023
PRIMARY
PUBCHEM
11687657
Created by admin on Thu Jul 06 01:32:06 UTC 2023 , Edited by admin on Thu Jul 06 01:32:06 UTC 2023
PRIMARY
ECHA (EC/EINECS)
254-096-6
Created by admin on Thu Jul 06 01:32:06 UTC 2023 , Edited by admin on Thu Jul 06 01:32:06 UTC 2023
PRIMARY
CAS
38708-95-1
Created by admin on Thu Jul 06 01:32:06 UTC 2023 , Edited by admin on Thu Jul 06 01:32:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE