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35556-81-1

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Basic Information
CAS No.: 35556-81-1
Name: 6-methoxy-1,2,3,9-tetrahydro-4H-carbazol-4-one
Article Data: 11
Molecular Structure:
Molecular Structure of 35556-81-1 (6-methoxy-1,2,3,9-tetrahydro-4H-carbazol-4-one)
Formula: C13H13NO2
Molecular Weight: 215.252
Synonyms: 1,2,3,9-Tetrahydro-6-methoxy-4H-Carbazol-4-one;
Density: 1.272 g/cm3
Boiling Point: 420.8 °C at 760 mmHg
Flash Point: 208.3 °C
PSA: 42.09000
LogP: 2.69550
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Specification

The 4H-Carbazol-4-one,1,2,3,9-tetrahydro-6-methoxy-, with the CAS registry number of 35556-81-1, is also known as 1,2,3,9-Tetrahydro-6-methoxy-4H-Carbazol-4-one. Its molecular formula is C13H13NO2 and molecular weight is 215.2478. What's more, its systematic name is 6-Methoxy-1,2,3,9-tetrahydro-4H-carbazol-4-one.

Physical properties about the 4H-Carbazol-4-one,1,2,3,9-tetrahydro-6-methoxy- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 97.89; (6)ACD/BCF (pH 7.4): 97.89; (7)ACD/KOC (pH 5.5): 925.9; (8)ACD/KOC (pH 7.4): 925.9; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.09 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 62.12 cm3; (15)Surface Tension: 55.8 dyne/cm; (16)Density: 1.272 g/cm3; (17)Flash Point: 208.3 °C; (18)Enthalpy of Vaporization: 67.47 kJ/mol; (19)Boiling Point: 420.8 °C at 760 mmHg; (20)Vapour Pressure: 2.75E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc2nc3CCCC(=O)c3c2c1
(2) InChI: InChI=1/C13H13NO2/c1-16-8-5-6-10-9(7-8)13-11(14-10)3-2-4-12(13)15/h5-7,14H,2-4H2,1H3
(3) InChIKey: UIONPYATGROVHA-UHFFFAOYAF