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149-11-1 | Hexanoic acid, 2-ethyl-, copper(2+) salt (2:1)
CAS No: 149-11-1 Catalog No: AG001LCD MDL No:MFCD00015695
Product Description
Catalog Number:
AG001LCD
Chemical Name:
Hexanoic acid, 2-ethyl-, copper(2+) salt (2:1)
CAS Number:
149-11-1
Molecular Formula:
C16H30CuO4
Molecular Weight:
349.9530
MDL Number:
MFCD00015695
IUPAC Name:
copper;2-ethylhexanoate
InChI:
InChI=1S/2C8H16O2.Cu/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChI Key:
SEKCXMNFUDONGJ-UHFFFAOYSA-L
SMILES:
CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Cu+2]
Properties
Complexity:
93.9
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:
2
Undefined Bond Stereocenter Count:
0
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