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115662-13-0 | Butanoic acid, 2-formyl-3-oxo-, methyl ester
CAS No: 115662-13-0 Catalog No: AG000GP0 MDL No:MFCD24674486
Product Description
Catalog Number:
AG000GP0
Chemical Name:
Butanoic acid, 2-formyl-3-oxo-, methyl ester
CAS Number:
115662-13-0
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
MDL Number:
MFCD24674486
IUPAC Name:
methyl 2-formyl-3-oxobutanoate
InChI:
InChI=1S/C6H8O4/c1-4(8)5(3-7)6(9)10-2/h3,5H,1-2H3
InChI Key:
WCKMNRMIESVWFW-UHFFFAOYSA-N
SMILES:
O=CC(C(=O)OC)C(=O)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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