4-hydroxybut-2-ynoic acid

4-hydroxybut-2-ynoic acid

CAS: 7218-52-2

Formula: C4H4O3

SMILES: OCC#CC(O)=O

IUPAC: 4-hydroxybut-2-ynoic acid

InChI: InChI=1S/C4H4O3/c5-3-1-2-4(6)7/h5H,3H2,(H,6,7)

Composition: C (48.01%), H (4.03%), O (47.96%)

Molar Mass: 100.073

Atom Count: 11

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	100.016043989
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QVYMWMSAXULCMW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	23.06
Topological Polar Surface Area	57.53
Polarizability	8.29
Ring Count	0
Rotatable Bond Count	2

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