Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate supplier

Name
Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate
EINECS
CAS No. 22955-77-7
Article Data67
CAS DataBase
Density 1.246 g/cm³
Solubility
Melting Point 59-60 °C
Formula C₁₁H₁₀O₃
Boiling Point 297.454 °C at 760 mmHg
Molecular Weight 190.199
Flash Point 130.012 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Indancarboxylicacid, 1-oxo-, methyl ester (8CI);2,3-Dihydro-1-oxo-1H-indene-2-carboxylic acidmethyl ester;2-(Methoxycarbonyl)indan-1-one;NSC 225050;2-Carbomethoxy-1-indanone;Methyl1-indanone-2-carboxylate;
PSA 43.37000
LogP 1.21460

Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate Specification

The Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate, with the CAS registry number 22955-77-7, is also known as 2-Carbomethoxy-1-indanone. This chemical's molecular formula is C₁₁H₁₀O₃ and molecular weight is 190.20. What's more, its systematic name is Methyl 1-oxo-2-indanecarboxylate.

Physical properties of Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.30; (6)ACD/BCF (pH 7.4): 1.29; (7)ACD/KOC (pH 5.5): 41.87; (8)ACD/KOC (pH 7.4): 41.83; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 49.508 cm³; (15)Molar Volume: 152.634 cm³; (16)Polarizability: 19.627×10^-24cm³; (17)Surface Tension: 47.78 dyne/cm; (18)Density: 1.246 g/cm³; (19)Flash Point: 130.012 °C; (20)Enthalpy of Vaporization: 53.731 kJ/mol; (21)Boiling Point: 297.454 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)C1Cc2ccccc2C1=O
(2)Std. InChI: InChI=1S/C11H10O3/c1-14-11(13)9-6-7-4-2-3-5-8(7)10(9)12/h2-5,9H,6H2,1H3
(3)Std. InChIKey: YBKCOFSJGXNOKP-UHFFFAOYSA-N

Product Name

Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate

Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate Specification

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