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137528-28-0 | β-Alanine, N-(carboxymethyl)-N-hydroxy-
CAS No: 137528-28-0 Catalog No: AG0013HT MDL No:
Product Description
Catalog Number:
AG0013HT
Chemical Name:
β-Alanine, N-(carboxymethyl)-N-hydroxy-
CAS Number:
137528-28-0
Molecular Formula:
C5H9NO5
Molecular Weight:
163.1287
IUPAC Name:
3-[carboxymethyl(hydroxy)amino]propanoic acid
InChI:
InChI=1S/C5H9NO5/c7-4(8)1-2-6(11)3-5(9)10/h11H,1-3H2,(H,7,8)(H,9,10)
InChI Key:
JLXCXJVFJPVFQH-UHFFFAOYSA-N
SMILES:
OC(=O)CCN(CC(=O)O)O
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
163.129g/mol
Monoisotopic Mass:
163.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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