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81113-14-6 | 2-(Hydroxymethyl);nicotinic acid
CAS No: 81113-14-6 Catalog No: AG00561F MDL No:MFCD12827969
Product Description
Catalog Number:
AG00561F
Chemical Name:
2-(Hydroxymethyl);nicotinic acid
CAS Number:
81113-14-6
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD12827969
IUPAC Name:
2-(hydroxymethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c9-4-6-5(7(10)11)2-1-3-8-6/h1-3,9H,4H2,(H,10,11)
InChI Key:
UFFXWEGDOSFZEE-UHFFFAOYSA-N
SMILES:
OCc1ncccc1C(=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:
-0.5
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