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3952-66-7 | Methyl 2-oxobutanoate
CAS No: 3952-66-7 Catalog No: AG003RP2 MDL No:MFCD03093092
Product Description
Catalog Number:
AG003RP2
Chemical Name:
Methyl 2-oxobutanoate
CAS Number:
3952-66-7
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD03093092
IUPAC Name:
methyl 2-oxobutanoate
InChI:
InChI=1S/C5H8O3/c1-3-4(6)5(7)8-2/h3H2,1-2H3
InChI Key:
XPIWVCAMONZQCP-UHFFFAOYSA-N
SMILES:
CCC(=O)C(=O)OC
EC Number:
474-670-1
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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