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Home > Pyridines > 101799-77-3
101799-77-3 | 3H-Pyrazol-3-one, 1,2-dihydro-4-phenyl-2-(2-pyridinyl)-
CAS No: 101799-77-3 Catalog No: AG0005L6 MDL No:
Product Description
Catalog Number:
AG0005L6
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-4-phenyl-2-(2-pyridinyl)-
CAS Number:
101799-77-3
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
IUPAC Name:
4-phenyl-2-pyridin-2-yl-1H-pyrazol-3-one
InChI:
InChI=1S/C14H11N3O/c18-14-12(11-6-2-1-3-7-11)10-16-17(14)13-8-4-5-9-15-13/h1-10,16H
InChI Key:
LYWNGHPPMABTJO-UHFFFAOYSA-N
SMILES:
O=c1c(c[nH]n1c1ccccn1)c1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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