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Name |
4H-Indol-4-one,3,3a,7,7a-tetrahydro-3a,5-dimethyl-2-phenyl- |
EINECS | N/A |
CAS No. | 2538-60-5 | Density | 1.13 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H17NO | Boiling Point | 365.8 °C at 760 mmHg |
Molecular Weight | 239.317 | Flash Point | 150.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 15194; |
The 4H-Indol-4-one,3,3a,7,7a-tetrahydro-3a,5-dimethyl-2-phenyl- is an organic compound with the formula C16H17NO. With the CAS registry number 2538-60-5, the IUPAC name of this chemical is 3a,5-dimethyl-2-phenyl-7,7a-dihydro-3H-indol-4-one.
Physical properties about 4H-Indol-4-one,3,3a,7,7a-tetrahydro-3a,5-dimethyl-2-phenyl- are: (1)ACD/LogP: 1.64; (2)#H bond acceptors: 2 ; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 29.43 Å2; (5)Index of Refraction: 1.607; (6)Molar Refractivity: 72.7 cm3; (7)Molar Volume: 210.2 cm3; (8)Polarizability: 28.82×10-24cm3; (9)Surface Tension: 41.2 dyne/cm; (10)Density: 1.13 g/cm3; (11)Flash Point: 150.8 °C; (12)Enthalpy of Vaporization: 61.22 kJ/mol; (13)Boiling Point: 365.8 °C at 760 mmHg; (14)Vapour Pressure: 1.53E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C(=C/CC3/N=C(/c1ccccc1)CC23C)C
(2)InChI: InChI=1/C16H17NO/c1-11-8-9-14-16(2,15(11)18)10-13(17-14)12-6-4-3-5-7-12/h3-8,14H,9-10H2,1-2H3
(3)InChIKey: PFVDLRROPRIHAT-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C16H17NO/c1-11-8-9-14-16(2,15(11)18)10-13(17-14)12-6-4-3-5-7-12/h3-8,14H,9-10H2,1-2H3
(5)Std. InChIKey: PFVDLRROPRIHAT-UHFFFAOYSA-N