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2-methylbut-3-enoic acid

2-methylbut-3-enoic acid

CAS: 53774-20-2

Formula: C5H8O2

SMILES: CC(C=C)C(O)=O

IUPAC: 2-methylbut-3-enoic acid

InChI: InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3-4H,1H2,2H3,(H,6,7)

Composition: C (59.98%), H (8.05%), O (31.96%)

Molar Mass: 100.117

Atom Count: 15

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 100.052429498
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GQWNPIKWYPQUPI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 26.49
Topological Polar Surface Area 37.3
Polarizability 10.23
Ring Count 0
Rotatable Bond Count 2

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