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84082-87-1 | Isooctanoic acid, copper(2+) salt (9CI)
CAS No: 84082-87-1 Catalog No: AG004T6S MDL No:
Product Description
Catalog Number:
AG004T6S
Chemical Name:
Isooctanoic acid, copper(2+) salt (9CI)
CAS Number:
84082-87-1
Molecular Formula:
C16H30CuO4
Molecular Weight:
349.9530
IUPAC Name:
copper;6-methylheptanoate
InChI:
InChI=1S/2C8H16O2.Cu/c2*1-7(2)5-3-4-6-8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChI Key:
UNJRQZGKWZTXSH-UHFFFAOYSA-L
SMILES:
CC(CCCCC(=O)[O-])C.CC(CCCCC(=O)[O-])C.[Cu+2]
EC Number:
282-034-8
Properties
Complexity:
91.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.144g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.958g/mol
Monoisotopic Mass:
349.144g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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