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20577-62-2 | Hexanoic acid, 2,4-dioxo-, methyl ester
CAS No: 20577-62-2 Catalog No: AG002ACO MDL No:MFCD16620536
Product Description
Catalog Number:
AG002ACO
Chemical Name:
Hexanoic acid, 2,4-dioxo-, methyl ester
CAS Number:
20577-62-2
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD16620536
IUPAC Name:
methyl 2,4-dioxohexanoate
InChI:
InChI=1S/C7H10O4/c1-3-5(8)4-6(9)7(10)11-2/h3-4H2,1-2H3
InChI Key:
MABBKNIOXJLSTP-UHFFFAOYSA-N
SMILES:
CCC(=O)CC(=O)C(=O)OC
NSC Number:
139472
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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