Cas no 16181-60-5 (3H-Indazol-3-one,2,3a,4,5,6,7-hexahydro-2-phenyl-)
16181-60-5 structure
Product Name:3H-Indazol-3-one,2,3a,4,5,6,7-hexahydro-2-phenyl-
CAS No:16181-60-5
MF:C13H14N2O
MW:214.263062953949
CID:235702
PubChem ID:263368
Update Time:2025-04-19
3H-Indazol-3-one,2,3a,4,5,6,7-hexahydro-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Indazol-3-one,2,3a,4,5,6,7-hexahydro-2-phenyl-
- 2-phenyl-4,5,6,7-tetrahydro-3aH-indazol-3-one
- 1-Phenyl-3,4-tetramethylen-pyrazolon-(5)
- 2-phenyl-1,2,4,5,6,7-hexahydro-indazol-3-one
- 2-Phenyl-2,3a,4,5,6,7-he
- 2-phenyl-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one
- 2-phenyl-2,3a,4,5,6,7-hexahydro-indazol-3-one
- 2-phenyl-4,5,6,7-tetrahydro-(3aH)indazolin-3-one
- 2-Phenyl-4,5-tetramethylen-pyrazol-3-on
- 3,3a,4,5,6,7-hexahydro-2-phenyl-2H-indazol-3-one
- AC1L69K9
- AC1Q6KUY
- ChemDiv3_002608
- CTK4D0970
- NCIOpen2_006451
- NSC97776
- SureCN4760592
- HMS1480G12
- NSC-97776
- SCHEMBL4760592
- 3H-Indazol-3-one, 2,3a,4,5,6,7-hexahydro-2-phenyl-
- CCG-19051
- AKOS002238548
- 16181-60-5
- DTXSID30294738
- AKOS016088605
- SR-01000474863-1
- SR-01000474863
-
- Inchi： 1S/C13H14N2O/c16-13-11-8-4-5-9-12(11)14-15(13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
- InChI Key： XTRMRDURQFAJOU-UHFFFAOYSA-N
- SMILES： O=C1C2C(CCCC2)=NN1C1C=CC=CC=1
Computed Properties
- Exact Mass: 214.11072
- Monoisotopic Mass: 214.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 318
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 32.7?2
Experimental Properties
- Density: 1.26
- Boiling Point: 389.7°Cat760mmHg
- Flash Point: 189.5°C
- Refractive Index: 1.663
- PSA: 32.67
3H-Indazol-3-one,2,3a,4,5,6,7-hexahydro-2-phenyl- Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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