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13280-03-0 | 2-Butynoic acid, 4-chloro-
CAS No: 13280-03-0 Catalog No: AG00117G MDL No:MFCD19228101
Product Description
Catalog Number:
AG00117G
Chemical Name:
2-Butynoic acid, 4-chloro-
CAS Number:
13280-03-0
Molecular Formula:
C4H3ClO2
Molecular Weight:
118.5184
MDL Number:
MFCD19228101
IUPAC Name:
4-chlorobut-2-ynoic acid
InChI:
InChI=1S/C4H3ClO2/c5-3-1-2-4(6)7/h3H2,(H,6,7)
InChI Key:
HWIXWJHXUZIGJF-UHFFFAOYSA-N
SMILES:
ClCC#CC(=O)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.982g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.516g/mol
Monoisotopic Mass:
117.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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