4H-Carbazol-4-one,1,2,3,9-tetrahydro-6-methoxy- supplier

Name
6-methoxy-1,2,3,9-tetrahydro-4H-carbazol-4-one
EINECS
CAS No. 35556-81-1
Article Data11
CAS DataBase
Density 1.272 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃NO₂
Boiling Point 420.8 °C at 760 mmHg
Molecular Weight 215.252
Flash Point 208.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,3,9-Tetrahydro-6-methoxy-4H-Carbazol-4-one;
PSA 42.09000
LogP 2.69550

4H-Carbazol-4-one,1,2,3,9-tetrahydro-6-methoxy- 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

Product Name

6-methoxy-1,2,3,9-tetrahydro-4H-carbazol-4-one

4H-Carbazol-4-one,1,2,3,9-tetrahydro-6-methoxy- Specification

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