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2636-14-8 | Eicosanoic acid, barium salt (2:1)
CAS No: 2636-14-8 Catalog No: AG002SW8 MDL No:
Product Description
Catalog Number:
AG002SW8
Chemical Name:
Eicosanoic acid, barium salt (2:1)
CAS Number:
2636-14-8
Molecular Formula:
C40H78BaO4
Molecular Weight:
760.3719
IUPAC Name:
barium(2+);icosanoate
InChI:
InChI=1S/2C20H40O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);/q;;+2/p-2
InChI Key:
OWILMSYOGSOBBZ-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ba+2]
EC Number:
220-126-1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
760.495g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
760.387g/mol
Monoisotopic Mass:
760.495g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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