1H-Benz[e]inden-1-one,2,3-dihydro-2-methyl- supplier

Name
2,3-DIHYDRO-2-METHYL-1H-BENZ[E]INDEN-1-ONE
EINECS
CAS No. 150096-57-4
Article Data10
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point 71-72℃
Formula C₁₄H₁₂O
Boiling Point 350 °C at 760 mmHg
Molecular Weight 196.249
Flash Point 153.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3-Dihydro-2-methyl-1H-benz[e]inden-1-one;2,3-Dihydro-2-methyl-1H-benz[e]indene-1-one;2-Methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-one;
PSA 17.07000
LogP 3.21470

1H-Benz[e]inden-1-one,2,3-dihydro-2-methyl- Specification

The 1H-Benz[e]inden-1-one,2,3-dihydro-2-methyl-, with the CAS registry number 150096-57-4, is also known as 2,3-Dihydro-2-methyl-1H-benz[e]indene-1-one. This chemical's molecular formula is C₁₄H₁₂O and molecular weight is 196.24. What's more, its systematic name is 2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-one.

Physical properties of 1H-Benz[e]inden-1-one,2,3-dihydro-2-methyl- are: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 472.78; (6)ACD/BCF (pH 7.4): 472.78; (7)ACD/KOC (pH 5.5): 2858.42; (8)ACD/KOC (pH 7.4): 2858.42; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 61.1 cm³; (15)Molar Volume: 169.1 cm³; (16)Polarizability: 24.22×10^-24cm³; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 153.4 °C; (20)Enthalpy of Vaporization: 59.46 kJ/mol; (21)Boiling Point: 350 °C at 760 mmHg; (22)Vapour Pressure: 4.52E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3c2c(ccc1ccccc12)CC3C
(2)InChI: InChI=1S/C14H12O/c1-9-8-11-7-6-10-4-2-3-5-12(10)13(11)14(9)15/h2-7,9H,8H2,1H3
(3)InChIKey: WZQMTXDLOOIQDN-UHFFFAOYSA-N

Product Name

2,3-DIHYDRO-2-METHYL-1H-BENZ[E]INDEN-1-ONE

1H-Benz[e]inden-1-one,2,3-dihydro-2-methyl- Specification

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