2-Butynoic acid
C₄H₄O₂·84.070 g/mol·CID 68535
IUPAC: but-2-ynoic acid
Also known as: 590-93-2, but-2-ynoic acid, Tetrolic acid, 1-Propynecarboxylic acid, 3-Methylpropiolic acid (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
84.070g/mol
Exact Mass
84.021129Da
Monoisotopic Mass
84.021129Da
XLogP
0.8
Polar Surface Area
37.3Ų
Complexity
112
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
6
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 84.1 g/mol
MW ≤ 500
✓ 0.8
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H314Causes severe skin burns and eye damageH318Causes serious eye damage
Source: PubChem GHS Classification. Always consult the SDS for handling.