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85118-09-8 | CERIUM(III) ISONONANOATE
CAS No: 85118-09-8 Catalog No: AG004O4N MDL No:
Product Description
Catalog Number:
AG004O4N
Chemical Name:
CERIUM(III) ISONONANOATE
CAS Number:
85118-09-8
Molecular Formula:
C27H51CeO6
Molecular Weight:
611.8062
IUPAC Name:
cerium(3+);7-methyloctanoate
InChI:
InChI=1S/3C9H18O2.Ce/c3*1-8(2)6-4-3-5-7-9(10)11;/h3*8H,3-7H2,1-2H3,(H,10,11);/q;;;+3/p-3
InChI Key:
GCGBGTXXCLJJAS-UHFFFAOYSA-K
SMILES:
CC(CCCCCC(=O)[O-])C.CC(CCCCCC(=O)[O-])C.CC(CCCCCC(=O)[O-])C.[Ce+3]
EC Number:
285-662-0
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
611.274g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
611.815g/mol
Monoisotopic Mass:
611.274g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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