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81119-16-6 | 3-Butenoic acid, 2-amino-3-chloro-
CAS No: 81119-16-6 Catalog No: AG000AMN MDL No:
Product Description
Catalog Number:
AG000AMN
Chemical Name:
3-Butenoic acid, 2-amino-3-chloro-
CAS Number:
81119-16-6
Molecular Formula:
C4H6ClNO2
Molecular Weight:
135.5489
IUPAC Name:
2-amino-3-chlorobut-3-enoic acid
InChI:
InChI=1S/C4H6ClNO2/c1-2(5)3(6)4(7)8/h3H,1,6H2,(H,7,8)
InChI Key:
WUOSUHNXMPQYPM-UHFFFAOYSA-N
SMILES:
ClC(=C)C(C(=O)O)N
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.009g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
135.547g/mol
Monoisotopic Mass:
135.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
Literature
| Title | Journal |
|---|---|
| The roles of active-site residues in the catalytic mechanism of trans-3-chloroacrylic acid dehalogenase: a kinetic, NMR, and mutational analysis. | Biochemistry 20040413 |
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