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115310-16-2 | 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-(phenylmethyl)-
CAS No: 115310-16-2 Catalog No: AG000GL0 MDL No:
Product Description
Catalog Number:
AG000GL0
Chemical Name:
4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-(phenylmethyl)-
CAS Number:
115310-16-2
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
1-benzyl-6,7-dihydro-5H-indazol-4-one
InChI:
InChI=1S/C14H14N2O/c17-14-8-4-7-13-12(14)9-15-16(13)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2
InChI Key:
KZRACVAICNSDTK-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cnn2Cc1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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