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37535-50-5 | 3-(4-Pyridyl)-D-alanine
CAS No: 37535-50-5 Catalog No: AG003I5E MDL No:MFCD01860874
Product Description
Catalog Number:
AG003I5E
Chemical Name:
3-(4-Pyridyl)-D-alanine
CAS Number:
37535-50-5
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD01860874
IUPAC Name:
(2R)-2-amino-3-pyridin-4-ylpropanoic acid
InChI:
InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m1/s1
InChI Key:
FQFVANSXYKWQOT-SSDOTTSWSA-N
SMILES:
N[C@@H](C(=O)O)Cc1ccncc1
Properties
Complexity:
155
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:
-2.6
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