Propargyl acetate
C₅H₆O₂·98.100 g/mol·CID 69388
IUPAC: prop-2-ynyl acetate
Also known as: RefChem:869611, 628-780-3, 627-09-8, prop-2-ynyl acetate, Prop-2-yn-1-yl acetate (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
98.100g/mol
Exact Mass
98.036779Da
Monoisotopic Mass
98.036779Da
XLogP
0.2
Polar Surface Area
26.3Ų
Complexity
106
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
2
Heavy Atoms
7
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 98.1 g/mol
MW ≤ 500
✓ 0.2
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H226Flammable liquid and vaporH301Toxic if swallowedH312Harmful in contact with skinH332Harmful if inhaled
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₆O₂
furan-2-ylmethanol
CID 7361 · 98.1 g/mol
2-methyl-2H-furan-5-one
CID 11558 · 98.1 g/mol
5-methyl-3H-furan-2-one
CID 11559 · 98.1 g/mol
3-methylideneoxolan-2-one
CID 68352 · 98.1 g/mol
cyclopentane-1,3-dione
CID 77466 · 98.1 g/mol
pent-4-ynoic acid
CID 22464 · 98.1 g/mol
5-methylfuran-3-one
CID 12711594 · 98.1 g/mol
ethenyl prop-2-enoate
CID 75118 · 98.1 g/mol