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1260653-09-5 | 4H-Indazol-4-one, 1-(2,3-dimethylphenyl)-1,5,6,7-tetrahydro-
CAS No: 1260653-09-5 Catalog No: AG000QY4 MDL No:MFCD15524949
Product Description
Catalog Number:
AG000QY4
Chemical Name:
4H-Indazol-4-one, 1-(2,3-dimethylphenyl)-1,5,6,7-tetrahydro-
CAS Number:
1260653-09-5
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3003
MDL Number:
MFCD15524949
IUPAC Name:
1-(2,3-dimethylphenyl)-6,7-dihydro-5H-indazol-4-one
InChI:
InChI=1S/C15H16N2O/c1-10-5-3-6-13(11(10)2)17-14-7-4-8-15(18)12(14)9-16-17/h3,5-6,9H,4,7-8H2,1-2H3
InChI Key:
SAPZGQLXLNCWPH-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cnn2c1cccc(c1C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.306g/mol
Monoisotopic Mass:
240.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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