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116967-25-0 | Hexanoic acid, 3,5-dioxo-, 1-methylethyl ester
CAS No: 116967-25-0 Catalog No: AG000DFW MDL No:
Product Description
Catalog Number:
AG000DFW
Chemical Name:
Hexanoic acid, 3,5-dioxo-, 1-methylethyl ester
CAS Number:
116967-25-0
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
propan-2-yl 3,5-dioxohexanoate
InChI:
InChI=1S/C9H14O4/c1-6(2)13-9(12)5-8(11)4-7(3)10/h6H,4-5H2,1-3H3
InChI Key:
GUWCFAMYMMARHC-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CC(=O)CC(=O)C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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