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39977-41-8 | 5-(Hydroxymethyl)-2-pyridinecarboxylic acid
CAS No: 39977-41-8 Catalog No: AG003A50 MDL No:MFCD11520014
Product Description
Catalog Number:
AG003A50
Chemical Name:
5-(Hydroxymethyl)-2-pyridinecarboxylic acid
CAS Number:
39977-41-8
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD11520014
IUPAC Name:
5-(hydroxymethyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c9-4-5-1-2-6(7(10)11)8-3-5/h1-3,9H,4H2,(H,10,11)
InChI Key:
JFOQWSKCLFWNSW-UHFFFAOYSA-N
SMILES:
OCc1ccc(nc1)C(=O)O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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