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26264-51-7 | Octadecanoic acid, epoxy-, calcium salt (8CI,9CI)
CAS No: 26264-51-7 Catalog No: AG002SIQ MDL No:
Product Description
Catalog Number:
AG002SIQ
Chemical Name:
Octadecanoic acid, epoxy-, calcium salt (8CI,9CI)
CAS Number:
26264-51-7
Molecular Formula:
C36H66CaO6
Molecular Weight:
634.9836
IUPAC Name:
calcium;3-pentadecyloxirane-2-carboxylate
InChI:
InChI=1S/2C18H34O3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(21-16)18(19)20;/h2*16-17H,2-15H2,1H3,(H,19,20);/q;;+2/p-2
InChI Key:
QVGYYTDFSROXRE-UHFFFAOYSA-L
SMILES:
[O-]C(=O)CCCCCCCCCCCCCCCC1CO1.[O-]C(=O)CCCCCCCCCCCCCCCC1CO1.[Ca+2]
EC Number:
247-563-0
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
634.449g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
634.996g/mol
Monoisotopic Mass:
634.449g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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