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4-chlorobut-2-ynoic acid

4-chlorobut-2-ynoic acid

CAS: 13280-03-0

Formula: C4H3ClO2

SMILES: OC(=O)C#CCCl

IUPAC: 4-chlorobut-2-ynoic acid

InChI: InChI=1S/C4H3ClO2/c5-3-1-2-4(6)7/h3H2,(H,6,7)

Composition: C (40.54%), H (2.55%), Cl (29.91%), O (27.00%)

Molar Mass: 118.52

Atom Count: 10

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 117.982157
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HWIXWJHXUZIGJF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 26.11
Topological Polar Surface Area 37.3
Polarizability 9.52
Ring Count 0
Rotatable Bond Count 2

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