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712321-46-5 | (R)-3-Amino-3-(6-methoxypyridin-3-yl)propanoic acid
CAS No: 712321-46-5 Catalog No: AG005K1Q MDL No:MFCD04118072
Product Description
Catalog Number:
AG005K1Q
Chemical Name:
(R)-3-Amino-3-(6-methoxypyridin-3-yl)propanoic acid
CAS Number:
712321-46-5
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD04118072
IUPAC Name:
(3R)-3-amino-3-(6-methoxypyridin-3-yl)propanoic acid
InChI:
InChI=1S/C9H12N2O3/c1-14-8-3-2-6(5-11-8)7(10)4-9(12)13/h2-3,5,7H,4,10H2,1H3,(H,12,13)/t7-/m1/s1
InChI Key:
JWSDJSZHYFNBEN-SSDOTTSWSA-N
SMILES:
COc1ccc(cn1)[C@@H](CC(=O)O)N
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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