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Home > Pyridines > 114043-04-8
114043-04-8 | Pyrano[2,3-c]pyrazol-6(1H)-one, 4-methyl-1-phenyl-3-(3-pyridinyl)-
CAS No: 114043-04-8 Catalog No: AG000AEB MDL No:
Product Description
Catalog Number:
AG000AEB
Chemical Name:
Pyrano[2,3-c]pyrazol-6(1H)-one, 4-methyl-1-phenyl-3-(3-pyridinyl)-
CAS Number:
114043-04-8
Molecular Formula:
C18H13N3O2
Molecular Weight:
303.3147
IUPAC Name:
4-methyl-1-phenyl-3-pyridin-3-ylpyrano[2,3-c]pyrazol-6-one
InChI:
InChI=1S/C18H13N3O2/c1-12-10-15(22)23-18-16(12)17(13-6-5-9-19-11-13)20-21(18)14-7-3-2-4-8-14/h2-11H,1H3
InChI Key:
XGYFCJOIMXSKQP-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)n(nc2c1cccnc1)c1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.101g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.321g/mol
Monoisotopic Mass:
303.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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