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Home > Pyridines > 879304-27-5
879304-27-5 | 1-cyclopropyl-5-(2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 879304-27-5 Catalog No: AG019OW7 MDL No:MFCD08258504
Product Description
Catalog Number:
AG019OW7
Chemical Name:
1-cyclopropyl-5-(2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
879304-27-5
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
MDL Number:
MFCD08258504
IUPAC Name:
1-cyclopropyl-5-(2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C16H12N2O3/c17-8-10-7-11(9-18(16(10)21)12-5-6-12)15(20)13-3-1-2-4-14(13)19/h1-4,7,9,12,19H,5-6H2
InChI Key:
RSIJAXCRUFLOAT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cn(c1=O)C1CC1)C(=O)c1ccccc1O
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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