Methyl 2-oxo-1-indanecarboxylate supplier

Name
METHYL 2-OXO-1-INDANECARBOXYLATE 97
EINECS
CAS No. 104620-34-0
Article Data6
CAS DataBase
Density 1.246 g/cm³
Solubility Slightly soluble in water.
Melting Point 65-69 °C
Formula C₁₁H₁₀O₃
Boiling Point 311.3 °C at 760 mmHg
Molecular Weight 190.199
Flash Point 137.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Methyl2-oxoindane-1-carboxylate;
PSA 43.37000
LogP 1.06840

Methyl 2-oxo-1-indanecarboxylate Specification

The Methyl 2-oxo-1-indanecarboxylate, with the CAS registry number 104620-34-0, is also known as 1H-Indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester. It belongs to the product categories of C11 to C12; Carbonyl Compounds; Ketones. This chemical's molecular formula is C₁₁H₁₀O₃and molecular weight is 190.197. Its systematic name is called methyl 2-oxo-2,3-dihydro-1H-indene-1-carboxylate. When you are using this chemical, please be cautious about it. This chemical may cause damage to health and it is harmful if swallowed.

Physical properties about this chemical are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.59; (6)ACD/BCF (pH 7.4): 2.58; (7)ACD/KOC (pH 5.5): 68.76; (8)ACD/KOC (pH 7.4): 68.65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.562; (13)Molar Refractivity: 49.5 cm³; (14)Molar Volume: 152.6 cm³; (15)Surface Tension: 47.7 dyne/cm; (16)Density: 1.246 g/cm³; (17)Flash Point: 137.4 °C; (18)Melting Point: 65-69 °C; (19)Enthalpy of Vaporization: 55.22 kJ/mol; (20)Boiling Point: 311.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000567 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C2c1ccccc1CC2=O
(2)InChI: InChI=1/C11H10O3/c1-14-11(13)10-8-5-3-2-4-7(8)6-9(10)12/h2-5,10H,6H2,1H3
(3)InChIKey: RWSYHHRDYRDVQL-UHFFFAOYAW

Product Name

METHYL 2-OXO-1-INDANECARBOXYLATE 97

Methyl 2-oxo-1-indanecarboxylate Specification

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