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CAS No.: | 53704-20-4 |
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Name: | (3E,5E)-5-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)PENT-3-EN-2-ONE |
Molecular Structure: | |
Formula: | C16H19NO |
Molecular Weight: | 241.333 |
Synonyms: | (3E, 5E)-5-(1, 3, 3-Trimethyl-1, 3-dihydro-2H-indol-2-ylidene)pent-3-en-2-one; |
Density: | 1.07 g/cm3 |
Melting Point: | 127-131℃ |
Boiling Point: | 362.7 °C at 760 mmHg |
Flash Point: | 130.5 °C |
PSA: | 20.31000 |
LogP: | 3.50810 |
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The (E, 5E)-5-(1, 3, 3-Trimethylindolin-2-ylidene)pent-3-en-2-one, with the CAS registry number 53704-20-4, is also known as (3E, 5E)-5-(1, 3, 3-Trimethyl-1, 3-dihydro-2H-indol-2-ylidene)pent-3-en-2-one. This chemical's molecular formula is C16H19NO and molecular weight is 241.33. What's more, its systematic name is (E, 5E)-5-(1, 3, 3-Trimethylindolin-2-ylidene)pent-3-en-2-one.
Physical properties about (E, 5E)-5-(1, 3, 3-Trimethylindolin-2-ylidene)pent-3-en-2-one are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 20.31 Å2; (9)Index of Refraction: 1.591; (10)Molar Refractivity: 76.27 cm3; (11)Molar Volume: 225.4 cm3; (12)Polarizability: 30.23×10-24 cm3; (13)Surface Tension: 41.5 dyne/cm; (14)Density: 1.07 g/cm3; (15)Flash Point: 130.5 °C; (16)Enthalpy of Vaporization: 60.87 kJ/mol; (17)Boiling Point: 362.7 °C at 760 mmHg; (18)Vapour Pressure: 1.9E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)C=CC=C1C(c2ccccc2N1C)(C)C
(2) InChI: InChI=1/C16H19NO/c1-12(18)8-7-11-15-16(2,3)13-9-5-6-10-14(13)17(15)4/h5-11H,1-4H3/b8-7+,15-11+
(3) InChIKey: HBKYTZJPJFSCEF-XHBXSBNIBX