1H-Isoindole-5-carboxylicacid, 2,3-dihydro-, methyl ester supplier

Name
METHYL ISOINDOLINE-5-CARBOXYLATE
EINECS
CAS No. 742666-57-5
Article Data6
CAS DataBase
Density 1.162 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NO₂
Boiling Point 303.311 °C at 760 mmHg
Molecular Weight 177.203
Flash Point 137.238 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3-Dihydro-1H-isoindole-5-carboxylicacid methyl ester;Methyl 2,3-dihydro-1H-isoindole-5-carboxylate;
PSA 38.33000
LogP 1.40520

1H-Isoindole-5-carboxylicacid, 2,3-dihydro-, methyl ester Specification

The 1H-Isoindole-5-carboxylicacid, 2,3-dihydro-, methyl ester, with the CAS registry number 742666-57-5, is also known as Methyl 2,3-dihydro-1H-isoindole-5-carboxylate. This chemical's molecular formula is C₁₀H₁₁NO₂ and molecular weight is 177.2. What's more, its systematic name is methyl isoindoline-5-carboxylate.

Physical properties of 1H-Isoindole-5-carboxylicacid, 2,3-dihydro-, methyl ester are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.828; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.729; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 33.175; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 38.33 Å²; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 48.937 cm³; (14)Molar Volume: 152.45 cm³; (15)Polarizability: 19.4×10^-24 cm³; (16)Surface Tension: 43.323 dyne/cm; (17)Density: 1.162 g/cm³; (18)Flash Point: 137.238 °C; (19)Enthalpy of Vaporization: 54.359 kJ/mol; (20)Boiling Point: 303.311 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)c1ccc2c(c1)CNC2
(2)InChI: InChI=1/C10H11NO2/c1-13-10(12)7-2-3-8-5-11-6-9(8)4-7/h2-4,11H,5-6H2,1H3
(3)InChIKey: RSBKALMWYNRSJK-UHFFFAOYAB

Product Name

METHYL ISOINDOLINE-5-CARBOXYLATE

1H-Isoindole-5-carboxylicacid, 2,3-dihydro-, methyl ester Specification

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