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84215-42-9 | Hexanoic acid,2,5,5-trimethyl-, zinc salt (2:1)
CAS No: 84215-42-9 Catalog No: AG004OPM MDL No:
Product Description
Catalog Number:
AG004OPM
Chemical Name:
Hexanoic acid,2,5,5-trimethyl-, zinc salt (2:1)
CAS Number:
84215-42-9
Molecular Formula:
C18H34O4Zn
Molecular Weight:
379.8402
IUPAC Name:
zinc;2,5,5-trimethylhexanoate
InChI:
InChI=1S/2C9H18O2.Zn/c2*1-7(8(10)11)5-6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2
InChI Key:
OVFCAWFVCNJLFR-UHFFFAOYSA-L
SMILES:
CC(C(=O)[O-])CCC(C)(C)C.CC(C(=O)[O-])CCC(C)(C)C.[Zn+2]
EC Number:
282-447-3
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.175g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.846g/mol
Monoisotopic Mass:
378.175g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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