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141590-02-5 | Butanoic acid, 4-amino-2-chloro-4-oxo-, (2S)-
CAS No: 141590-02-5 Catalog No: AG001GNR MDL No:
Product Description
Catalog Number:
AG001GNR
Chemical Name:
Butanoic acid, 4-amino-2-chloro-4-oxo-, (2S)-
CAS Number:
141590-02-5
Molecular Formula:
C4H6ClNO3
Molecular Weight:
151.5483
IUPAC Name:
(2S)-4-amino-2-chloro-4-oxobutanoic acid
InChI:
InChI=1S/C4H6ClNO3/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChI Key:
UXDVSJDEXCQGDO-REOHCLBHSA-N
SMILES:
NC(=O)C[C@@H](C(=O)O)Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
151.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.546g/mol
Monoisotopic Mass:
151.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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