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13329-66-3 | Octadecanoic acid, 12-hydroxy-, aluminum salt (3:1)
CAS No: 13329-66-3 Catalog No: AG0014JQ MDL No:
Product Description
Catalog Number:
AG0014JQ
Chemical Name:
Octadecanoic acid, 12-hydroxy-, aluminum salt (3:1)
CAS Number:
13329-66-3
Molecular Formula:
C36H70Al2O6++++
Molecular Weight:
652.9005
IUPAC Name:
aluminum;12-hydroxyoctadecanoate
InChI:
InChI=1S/3C18H36O3.Al/c3*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h3*17,19H,2-16H2,1H3,(H,20,21);/q;;;+3/p-3
InChI Key:
ROADCTMRUVIXLV-UHFFFAOYSA-K
SMILES:
CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCCCCCCCCCCCC(C(=O)[O-])O.[Al+3].[Al+3]
EC Number:
236-373-3
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
924.757g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
925.407g/mol
Monoisotopic Mass:
924.757g/mol
Rotatable Bond Count:
45
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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