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CAS No.: | 341988-36-1 |
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Name: | 2,3-DIHYDRO-1H-INDOLE-6-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C10H11NO2 |
Molecular Weight: | 177.203 |
Synonyms: | 2,3-Dihydro-1H-indole-6-carboxylicacid methyl ester;Methyl indoline-6-carboxylate; |
Density: | 1.162 g/cm3 |
Boiling Point: | 315.6 °C at 760 mmHg |
Flash Point: | 144.7 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 38.33000 |
LogP: | 1.57920 |
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The 1H-Indole-6-carboxylicacid, 2, 3-dihydro-, methyl ester, with the CAS registry number of 341988-36-1, is also known as 2, 3-Dihydro-1H-indole-6-carboxylic acid methyl ester. This chemical's molecular formula is C10H11NO2 and molecular weight is 177.19984. What's more, its systematic name is called Methyl 2, 3-dihydro-1H-indole-6-carboxylatato.
Physical properties about 1H-Indole-6-carboxylicacid, 2, 3-dihydro-, methyl ester are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 16.98; (6)ACD/BCF (pH 7.4): 17.94; (7)ACD/KOC (pH 5.5): 260.14; (8)ACD/KOC (pH 7.4): 274.85; (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: 48.93 cm3; (15)Molar Volume: 152.4 cm3; (16)Surface Tension: 43.3 dyne/cm; (17)Density: 1.162 g/cm3; (18)Flash Point: 144.7 °C; (19)Enthalpy of Vaporization: 55.69 kJ/mol; (20)Boiling Point: 315.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000433 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)c1ccc2CCNc2c1
(2) InChI: InChI=1/C10H11NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-3,6,11H,4-5H2,1H3
(3) InChIKey: IVFIWGSRKYSLLR-UHFFFAOYAR