1H-Indene-3-carboxylicacid, methyl ester supplier

Name
METHYL 1H-INDENE-3-CARBOXYLATE
EINECS
CAS No. 39891-79-7
Article Data3
CAS DataBase
Density 1.181 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀O₂
Boiling Point 291.7 °C at 760 mmHg
Molecular Weight 174.199
Flash Point 118.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl3-indenecarboxylate;Methyl 1-indene-1-carboxylate;3-Indenecarboxylicacid, methyl ester (6CI);
PSA 26.30000
LogP 1.79910

1H-Indene-3-carboxylicacid, methyl ester Specification

The 1H-Indene-3-carboxylicacid, methyl ester is an organic compound with the formula C₁₁H₁₀O₂. With the CAS registry number 39891-79-7, the systematic name of this chemical is methyl 1H-indene-3-carboxylate.

Physical properties about 1H-Indene-3-carboxylicacid, methyl ester are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 2.45; (3)ACD/LogD (pH 7.4): 2.45; (4)ACD/BCF (pH 5.5): 42.93; (5)ACD/BCF (pH 7.4): 42.93; (6)ACD/KOC (pH 5.5): 513.25; (7)ACD/KOC (pH 7.4): 513.25; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 48.97 cm³; (13)Molar Volume: 147.4 cm³; (14)Polarizability: 19.41×10^-24cm³; (15)Surface Tension: 45.1 dyne/cm; (16)Density: 1.181 g/cm³; (17)Flash Point: 118.1 °C; (18)Enthalpy of Vaporization: 53.12 kJ/mol; (19)Boiling Point: 291.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00192 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C=2c1ccccc1CC=2
(2)InChI: InChI=1/C11H10O2/c1-13-11(12)10-7-6-8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3
(3)InChIKey: MLCZDADAEVAQBF-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H10O2/c1-13-11(12)10-7-6-8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3
(5)Std. InChIKey: MLCZDADAEVAQBF-UHFFFAOYSA-N

Product Name

METHYL 1H-INDENE-3-CARBOXYLATE

1H-Indene-3-carboxylicacid, methyl ester Specification

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