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114669-16-8 | 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-(1-naphthalenyl)-
CAS No: 114669-16-8 Catalog No: AG000F0E MDL No:
Product Description
Catalog Number:
AG000F0E
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-(1-naphthalenyl)-
CAS Number:
114669-16-8
Molecular Formula:
C15H14N2O
Molecular Weight:
238.2845
IUPAC Name:
1,5-dimethyl-2-naphthalen-1-ylpyrazol-3-one
InChI:
InChI=1S/C15H14N2O/c1-11-10-15(18)17(16(11)2)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3
InChI Key:
BUPIQOCJYDWKIM-UHFFFAOYSA-N
SMILES:
O=c1cc(n(n1c1cccc2c1cccc2)C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.29g/mol
Monoisotopic Mass:
238.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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