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149196-85-0 | 2-Pyridinepropanoic acid, β-amino-, (βS)-
CAS No: 149196-85-0 Catalog No: AG001LFT MDL No:
Product Description
Catalog Number:
AG001LFT
Chemical Name:
2-Pyridinepropanoic acid, β-amino-, (βS)-
CAS Number:
149196-85-0
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
(3S)-3-amino-3-pyridin-2-ylpropanoic acid
InChI:
InChI=1S/C8H10N2O2/c9-6(5-8(11)12)7-3-1-2-4-10-7/h1-4,6H,5,9H2,(H,11,12)/t6-/m0/s1
InChI Key:
WCLGSNNEAOFFCL-LURJTMIESA-N
SMILES:
OC(=O)C[C@@H](c1ccccn1)N
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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