CAS No.202667-44-5,2-METHYL-2,3,6,7-TETRAHYDRO-S-INDACEN-1(5H)-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	202667-44-5
Name:	2-METHYL-2,3,6,7-TETRAHYDRO-S-INDACEN-1(5H)-ONE
Article Data:	5

Formula:	C₁₃H₁₄O
Molecular Weight:	186.25
Synonyms:	2-Methyl-3,5,6,7-tetrahydro-S-indacen-1(2H)-one;S-Indacen-1(2H)-one, 3,5,6,7-tetrahydro-2-methyl-;
EINECS:	606-481-9
Density:	1.135 g/cm³
Boiling Point:	328.681 °C at 760 mmHg
Flash Point:	142.446 °C
PSA:	17.07000
LogP:	2.55020

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Specification

The 3,5,6,7-Tetrahydro-2-methyl-S-indacen-1(2H)-one is an organic compound with the formula C₁₃H₁₄O. The systematic name of this chemical is 2-Methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one. With the CAS registry number 202667-44-5, it is also named as s-Indacen-1(2H)-one, 3,5,6,7-tetrahydro-2-methyl-. Besides, its molecular weight is 186.25.

The physical properties of 3,5,6,7-Tetrahydro-2-methyl-S-indacen-1(2H)-one are: (1)ACD/LogP: 2.33; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 390; (5)ACD/BCF (pH 7.4): 390; (6)ACD/KOC (pH 5.5): 2493; (7)ACD/KOC (pH 7.4): 2493; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å²; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 55.44 cm³; (12)Molar Volume: 164.105 cm³; (13)Polarizability: 21.978×10^-24 cm³; (14)Surface Tension: 44.088 dyne/cm; (15)Density: 1.135 g/cm³; (16)Flash Point: 142.446 °C; (17)Enthalpy of Vaporization: 57.109 kJ/mol; (18)Boiling Point: 328.681 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3c1c(cc2c(c1)CCC2)CC3C
(2)InChI: InChI=1/C13H14O/c1-8-5-11-6-9-3-2-4-10(9)7-12(11)13(8)14/h6-8H,2-5H2,1H3
(3)InChIKey: HUGFGAJICGDGBY-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H14O/c1-8-5-11-6-9-3-2-4-10(9)7-12(11)13(8)14/h6-8H,2-5H2,1H3
(5)Std. InChIKey: HUGFGAJICGDGBY-UHFFFAOYSA-N