CAS No.380427-39-4,METHYL OXINDOLE-7-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	380427-39-4
Name:	METHYL OXINDOLE-7-CARBOXYLATE

Formula:	C₁₀H₉NO₃
Molecular Weight:	191.186
Synonyms:	Methyloxindole-7-carboxylate;
Density:	1.283 g/cm³
Melting Point:	182-184 °C
Boiling Point:	402.7 °C at 760 mmHg
Flash Point:	197.3 °C
PSA:	55.40000
LogP:	1.10580

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Specification

The 1H-Indole-7-carboxylicacid, 2,3-dihydro-2-oxo-, methyl ester, with the CAS registry number 380427-39-4, is also known as Methyl oxindole-7-carboxylate. It belongs to the product categories of Blocks; Carboxes; IndolesOxindoles. This chemical's molecular formula is C₁₀H₉NO₃ and molecular weight is 191.18. What's more, its systematic name is methyl 2-oxo-2,3-dihydro-1H-indole-7-carboxylate.

Physical properties of 1H-Indole-7-carboxylicacid, 2,3-dihydro-2-oxo-, methyl ester are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.9; (6)ACD/BCF (pH 7.4): 11.9; (7)ACD/KOC (pH 5.5): 204.84; (8)ACD/KOC (pH 7.4): 204.84; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 49.06 cm³; (15)Molar Volume: 148.9 cm³; (16)Polarizability: 19.45×10^-24 cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.283 g/cm³; (19)Flash Point: 197.3 °C; (20)Enthalpy of Vaporization: 65.38 kJ/mol; (21)Boiling Point: 402.7 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OC)c1cccc2c1NC(=O)C2
(2)InChI: InChI=1/C10H9NO3/c1-14-10(13)7-4-2-3-6-5-8(12)11-9(6)7/h2-4H,5H2,1H3,(H,11,12)
(3)InChIKey: XVJRNLIMSQFUAI-UHFFFAOYAM