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5819-34-1 | 2-chloro-3-oxobutanoic acid
CAS No: 5819-34-1 Catalog No: AG003973 MDL No:
Product Description
Catalog Number:
AG003973
Chemical Name:
2-chloro-3-oxobutanoic acid
CAS Number:
5819-34-1
Molecular Formula:
C4H5ClO3
Molecular Weight:
136.5337
IUPAC Name:
2-chloro-3-oxobutanoic acid
InChI:
InChI=1S/C4H5ClO3/c1-2(6)3(5)4(7)8/h3H,1H3,(H,7,8)
InChI Key:
VCBFAUSKNYAKJZ-UHFFFAOYSA-N
SMILES:
ClC(C(=O)O)C(=O)C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.993g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.531g/mol
Monoisotopic Mass:
135.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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