4-methoxybut-2-ynoic acid

4-methoxybut-2-ynoic acid

CAS: 24303-64-8

Formula: C5H6O3

SMILES: COCC#CC(O)=O

IUPAC: 4-methoxybut-2-ynoic acid

InChI: InChI=1S/C5H6O3/c1-8-4-2-3-5(6)7/h4H2,1H3,(H,6,7)

Composition: C (52.63%), H (5.30%), O (42.07%)

Molar Mass: 114.1

Atom Count: 14

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	114.031694053
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ATFQGKWMZOYASB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	27.81
Topological Polar Surface Area	46.53
Polarizability	10.15
Ring Count	0
Rotatable Bond Count	3

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97%	<2 Days	24303-64-8		$143.75-$2,290.80$143.75$171.35$227.70$342.70$572.70$2,290.80