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Home > Pyridines > 554407-87-3
554407-87-3 | 1-cyclopropyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 554407-87-3 Catalog No: AG019I0V MDL No:MFCD03973163
Product Description
Catalog Number:
AG019I0V
Chemical Name:
1-cyclopropyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
554407-87-3
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
MDL Number:
MFCD03973163
IUPAC Name:
1-cyclopropyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C17H14N2O3/c1-10-2-5-15(20)14(6-10)16(21)12-7-11(8-18)17(22)19(9-12)13-3-4-13/h2,5-7,9,13,20H,3-4H2,1H3
InChI Key:
VJOYOYDUVDTQBB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cn(c1=O)C1CC1)C(=O)c1cc(C)ccc1O
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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