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10153-83-0 | Pentanoic acid, 2,4-dioxo-, butyl ester
CAS No: 10153-83-0 Catalog No: AG0004QN MDL No:
Product Description
Catalog Number:
AG0004QN
Chemical Name:
Pentanoic acid, 2,4-dioxo-, butyl ester
CAS Number:
10153-83-0
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
butyl 2,4-dioxopentanoate
InChI:
InChI=1S/C9H14O4/c1-3-4-5-13-9(12)8(11)6-7(2)10/h3-6H2,1-2H3
InChI Key:
FOMYYQMPVKGWON-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(=O)CC(=O)C
EC Number:
233-423-6
Properties
Complexity:
208
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:
7
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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