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88561-28-8 | 4-Pyridinecarboxamide, N-[2-(1-hydroxyethyl)-4-methylphenyl]-
CAS No: 88561-28-8 Catalog No: AG004BZF MDL No:
Product Description
Catalog Number:
AG004BZF
Chemical Name:
4-Pyridinecarboxamide, N-[2-(1-hydroxyethyl)-4-methylphenyl]-
CAS Number:
88561-28-8
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
IUPAC Name:
N-[2-(1-hydroxyethyl)-4-methylphenyl]pyridine-4-carboxamide
InChI:
InChI=1S/C15H16N2O2/c1-10-3-4-14(13(9-10)11(2)18)17-15(19)12-5-7-16-8-6-12/h3-9,11,18H,1-2H3,(H,17,19)
InChI Key:
VZRPRBCOHXXIKK-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(O)C)NC(=O)c1ccncc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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