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CAS No.: | 141452-01-9 |
---|---|
Name: | methyl indoline-5-carboxylate |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C10H11NO2 |
Molecular Weight: | 177.203 |
Synonyms: | Methyl2,3-dihydro-1H-indole-5-carboxylate; |
Density: | 1.162 g/cm3 |
Melting Point: | 67-69 °C |
Boiling Point: | 330.955 °C at 760 mmHg |
Flash Point: | 153.956 °C |
PSA: | 38.33000 |
LogP: | 1.57920 |
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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