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17448-81-6 | Pentanoic acid, 2-acetyl-3-oxo-, ethyl ester
CAS No: 17448-81-6 Catalog No: AG001ZOT MDL No:
Product Description
Catalog Number:
AG001ZOT
Chemical Name:
Pentanoic acid, 2-acetyl-3-oxo-, ethyl ester
CAS Number:
17448-81-6
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
ethyl 2-acetyl-3-oxopentanoate
InChI:
InChI=1S/C9H14O4/c1-4-7(11)8(6(3)10)9(12)13-5-2/h8H,4-5H2,1-3H3
InChI Key:
MBEMCNGCJQPXAH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)CC)C(=O)C
Properties
Complexity:
220
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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