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117107-58-1 | 3-Pyridinecarboxylic acid, 6-(1-hydroxyethyl)-
CAS No: 117107-58-1 Catalog No: AG000DQN MDL No:
Product Description
Catalog Number:
AG000DQN
Chemical Name:
3-Pyridinecarboxylic acid, 6-(1-hydroxyethyl)-
CAS Number:
117107-58-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
6-(1-hydroxyethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-5(10)7-3-2-6(4-9-7)8(11)12/h2-5,10H,1H3,(H,11,12)
InChI Key:
XJBOOAAPQZZFKM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cn1)C(=O)O)O
Properties
Complexity:
172
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:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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