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Details

Stereochemistry ACHIRAL
Molecular Formula 2C10H19O2.Ca
Molecular Weight 382.591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM NEODECANOATE

SMILES

[Ca++].CCCCCCC(C)(C)C([O-])=O.CCCCCCC(C)(C)C([O-])=O

InChI

InChIKey=FBEKWOCPHIOZKE-UHFFFAOYSA-L
InChI=1S/2C10H20O2.Ca/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(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 C10H19O2
Molecular Weight 171.2567
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 Sat Dec 16 10:58:31 GMT 2023
Edited
by admin
on Sat Dec 16 10:58:31 GMT 2023
Record UNII
2F77O6F99M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM NEODECANOATE
Systematic Name English
CALCIUM TEN-CEM
Brand Name English
NEODECANOIC ACID, CALCIUM SALT
Common Name English
NEODECANOIC ACID, CALCIUM SALT (2:1)
Systematic Name English
Code System Code Type Description
FDA UNII
2F77O6F99M
Created by admin on Sat Dec 16 10:58:31 GMT 2023 , Edited by admin on Sat Dec 16 10:58:31 GMT 2023
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CAS
27253-33-4
Created by admin on Sat Dec 16 10:58:31 GMT 2023 , Edited by admin on Sat Dec 16 10:58:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
248-375-1
Created by admin on Sat Dec 16 10:58:31 GMT 2023 , Edited by admin on Sat Dec 16 10:58:31 GMT 2023
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PUBCHEM
117064825
Created by admin on Sat Dec 16 10:58:31 GMT 2023 , Edited by admin on Sat Dec 16 10:58:31 GMT 2023
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