4-hydroxybut-2-ynoic acid
C₄H₄O₃·100.070 g/mol·CID 359297
Also known as: 7218-52-2, DTXSID00326873, RefChem:293396, DTXCID90277986, 825-546-4 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
100.070g/mol
Exact Mass
100.016044Da
Monoisotopic Mass
100.016044Da
XLogP
-0.5
Polar Surface Area
57.5Ų
Complexity
124
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
7
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 100.1 g/mol
MW ≤ 500
✓ -0.5
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₄H₄O₃
oxolane-2,5-dione
CID 7922 · 100.1 g/mol
oxolane-2,4-dione
CID 521261 · 100.1 g/mol
2-hydroxy-2H-furan-5-one
CID 21076 · 100.1 g/mol
3-hydroxy-2H-furan-5-one
CID 54683813 · 100.1 g/mol
3,3,4,4-tetradeuteriooxolane-2,5-dione
CID 12998367 · 104.1 g/mol
methanetricarbaldehyde
CID 551778 · 100.1 g/mol
2-hydroxybut-3-ynoic acid
CID 170267 · 100.1 g/mol
4-hydroxyfuran-3-one
CID 23435113 · 100.1 g/mol