METHYL PROPIOLATE
C₄H₄O₂·84.070 g/mol·CID 13536
IUPAC: methyl prop-2-ynoate
Also known as: Methyl propynoate, Propiolic acid, methyl ester, Propynoic acid methyl ester, methyl propargylate, methyl 2-propynoate (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
84.070g/mol
Exact Mass
84.021129Da
Monoisotopic Mass
84.021129Da
XLogP
0.6
Polar Surface Area
26.3Ų
Complexity
95
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
6
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 84.1 g/mol
MW ≤ 500
✓ 0.6
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H225Highly Flammable liquid and vaporH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₄H₄O₂
2H-furan-5-one
CID 10341 · 84.1 g/mol
4-methylideneoxetan-2-one
CID 12661 · 84.1 g/mol
but-2-ynoic acid
CID 68535 · 84.1 g/mol
3H-furan-2-one
CID 140765 · 84.1 g/mol
1,4-dioxine
CID 78968 · 84.1 g/mol
(Z)-but-2-enedial
CID 5323604 · 84.1 g/mol
(E)-but-2-enedial
CID 5287477 · 84.1 g/mol
but-3-ynoic acid
CID 137547 · 84.1 g/mol