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163513-22-2 | 2-Pyridinepropanoic acid, α-amino-, methyl ester, dihydrochloride, (αR)- (9CI)
CAS No: 163513-22-2 Catalog No: AG001U6C MDL No:MFCD20261115
Product Description
Catalog Number:
AG001U6C
Chemical Name:
2-Pyridinepropanoic acid, α-amino-, methyl ester, dihydrochloride, (αR)- (9CI)
CAS Number:
163513-22-2
Molecular Formula:
C9H14Cl2N2O2
Molecular Weight:
253.1257
MDL Number:
MFCD20261115
IUPAC Name:
methyl (2R)-2-amino-3-pyridin-2-ylpropanoate;dihydrochloride
InChI:
InChI=1S/C9H12N2O2.2ClH/c1-13-9(12)8(10)6-7-4-2-3-5-11-7;;/h2-5,8H,6,10H2,1H3;2*1H/t8-;;/m1../s1
InChI Key:
ZGKDXWUPOLOWRS-YCBDHFTFSA-N
SMILES:
COC(=O)[C@@H](Cc1ccccn1)N.Cl.Cl
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.123g/mol
Monoisotopic Mass:
252.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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