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2-oxobutanoic acid

2-oxobutanoic acid

CAS: 600-18-0

Formula: C4H6O3

SMILES: CCC(=O)C(O)=O

IUPAC: 2-oxobutanoic acid

InChI: InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)

Composition: C (47.06%), H (5.92%), O (47.01%)

Molar Mass: 102.089

Atom Count: 13

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 102.031694053
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey TYEYBOSBBBHJIV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 22.62
Topological Polar Surface Area 54.37
Polarizability 8.82
Ring Count 0
Rotatable Bond Count 2

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