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889957-22-6 | (RS)-2-HYDROXY-3-(PYRIDIN-3-YL)-PROPANOIC ACID
CAS No: 889957-22-6 Catalog No: AG00455V MDL No:MFCD03093399
Product Description
Catalog Number:
AG00455V
Chemical Name:
(RS)-2-HYDROXY-3-(PYRIDIN-3-YL)-PROPANOIC ACID
CAS Number:
889957-22-6
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD03093399
IUPAC Name:
2-hydroxy-3-pyridin-3-ylpropanoic acid
InChI:
InChI=1S/C8H9NO3/c10-7(8(11)12)4-6-2-1-3-9-5-6/h1-3,5,7,10H,4H2,(H,11,12)
InChI Key:
WPGXGEDJKQOMAV-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1cccnc1)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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