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114115-57-0 | 3-Butenoic acid, 2-amino-3-chloro-, (S)- (9CI)
CAS No: 114115-57-0 Catalog No: AG000AMJ MDL No:
Product Description
Catalog Number:
AG000AMJ
Chemical Name:
3-Butenoic acid, 2-amino-3-chloro-, (S)- (9CI)
CAS Number:
114115-57-0
Molecular Formula:
C4H6ClNO2
Molecular Weight:
135.5489
IUPAC Name:
(2S)-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)/t3-/m1/s1
InChI Key:
WUOSUHNXMPQYPM-GSVOUGTGSA-N
SMILES:
ClC(=C)[C@H](C(=O)O)N
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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