3-oxopropanoic acid
C₃H₄O₃·88.060 g/mol·CID 868
Also known as: 926-61-4, Malonic semialdehyde, Propanoic acid, 3-oxo-, 9K1T0U0R4C, YTR 830H-III (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
88.060g/mol
Exact Mass
88.016044Da
Monoisotopic Mass
88.016044Da
XLogP
-0.6
Polar Surface Area
54.4Ų
Complexity
66
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
2
Heavy Atoms
6
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 88.1 g/mol
MW ≤ 500
✓ -0.6
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula C₃H₄O₃
2-oxopropanoic acid
CID 1060 · 88.1 g/mol
1,3-dioxolan-2-one
CID 7303 · 88.1 g/mol
methyl 2-oxoacetate
CID 70205 · 88.1 g/mol
2-hydroxypropanedial
CID 4451502 · 88.1 g/mol
oxirane-2-carboxylic acid
CID 94158 · 88.1 g/mol
2-hydroxyprop-2-enoic acid
CID 37873 · 88.1 g/mol
formyl acetate
CID 75269 · 88.1 g/mol
carbon dioxide;oxirane
CID 197111 · 88.1 g/mol