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Calcium 2-ethylhexanoate
Catalog Number
ACM136516
CAS
136-51-6
IUPAC Name
Calcium;2-ethylhexanoate
Synonyms
2-Ethylhexanoic acid calcium salt
Molecular Weight
326.48
Molecular Formula
C16H30CaO4
Product Information
Description
Liquid
Canonical SMILES
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]
InChI
InChI=1S/2C8H16O2.Ca/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;+2/p-2
InChI Key
LTPCXXMGKDQPAO-UHFFFAOYSA-L
Purity
95%+
Solubility
Insoluble in water
Appearance
Viscous liquid
Complexity
93.9
Covalently-Bonded Unit Count
3
Exact Mass
326.1770003
Heavy Atom Count
21
Monoisotopic Mass
326.1770003
Rotatable Bond Count
8
Topological Polar Surface Area
80.3 Ų
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