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832714-58-6 | 2-Pyridinecarboxylic acid, 5-[(1-methylethoxy)methyl]-
CAS No: 832714-58-6 Catalog No: AG004YCF MDL No:
Product Description
Catalog Number:
AG004YCF
Chemical Name:
2-Pyridinecarboxylic acid, 5-[(1-methylethoxy)methyl]-
CAS Number:
832714-58-6
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
5-(propan-2-yloxymethyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C10H13NO3/c1-7(2)14-6-8-3-4-9(10(12)13)11-5-8/h3-5,7H,6H2,1-2H3,(H,12,13)
InChI Key:
UGHFQUWPHPCBSA-UHFFFAOYSA-N
SMILES:
CC(OCc1ccc(nc1)C(=O)O)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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