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Methyl indoline-5-carboxylate

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Name

Methyl indoline-5-carboxylate

EINECS N/A
CAS No. 141452-01-9 Density 1.162 g/cm3
PSA 38.33000 LogP 1.57920
Solubility N/A Melting Point 67-69 °C
Formula C10H11NO2 Boiling Point 330.955 °C at 760 mmHg
Molecular Weight 177.203 Flash Point 153.956 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 141452-01-9 (methyl indoline-5-carboxylate) Hazard Symbols N/A
Synonyms

Methyl2,3-dihydro-1H-indole-5-carboxylate;

Article Data 22

Methyl indoline-5-carboxylate Specification

This chemical is called Methyl 2,3-dihydro-1H-indole-5-carboxylate, and its CAS registry number is 141452-01-9. With the molecular formula of C10H11NO2, its molecular weight is 177.20.

Other characteristics of the Methyl 2,3-dihydro-1H-indole-5-carboxylate can be summarised as followings: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 28; (6)ACD/BCF (pH 7.4): 28; (7)ACD/KOC (pH 5.5): 373; (8)ACD/KOC (pH 7.4): 374; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 48.937 cm3; (15)Molar Volume: 152.45 cm3; (16)Polarizability: 19.4×10-24cm3; (17)Surface Tension: 43.323 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 153.956 °C; (20)Enthalpy of Vaporization: 57.358 kJ/mol; (21)Boiling Point: 330.955 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: COC(=O)c1cc2CCNc2cc1
2.InChI: InChI=1/C10H11NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-3,6,11H,4-5H2,1H3
3.InChIKey: VVAPQJBMJBCZMH-UHFFFAOYAC

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