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137024-09-0 | 4-Pyridinecarboxylic acid, 1,4-dihydro-1-methyl-2-(phenylmethyl)-
CAS No: 137024-09-0 Catalog No: AG0012Q9 MDL No:
Product Description
Catalog Number:
AG0012Q9
Chemical Name:
4-Pyridinecarboxylic acid, 1,4-dihydro-1-methyl-2-(phenylmethyl)-
CAS Number:
137024-09-0
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
2-benzyl-1-methyl-4H-pyridine-4-carboxylic acid
InChI:
InChI=1S/C14H15NO2/c1-15-8-7-12(14(16)17)10-13(15)9-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3,(H,16,17)
InChI Key:
GNGLPEVQDXXSTN-UHFFFAOYSA-N
SMILES:
CN1C=CC(C=C1Cc1ccccc1)C(=O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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