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1190313-98-4

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Basic Information
CAS No.: 1190313-98-4
Name: 1H-Pyrrolo[2,3-b]pyridine-4-carboxylicacid,2,3-dihydro-2-oxo-,Methylester
Molecular Structure:
Molecular Structure of 1190313-98-4 (1H-Pyrrolo[2,3-b]pyridine-4-carboxylicacid,2,3-dihydro-2-oxo-,Methylester)
Formula: C9H8N2O3
Molecular Weight: 192.17
Synonyms: 7-AZA-2-OXINDOLE-4-CARBOXYLIC ACID METHYL ESTER;
Density: 1.4±0.1 g/cm3
Boiling Point: 435.3±45.0 °C at 760 mmHg
Flash Point: 217.1±28.7 °C
PSA: 71.78000
LogP: 0.44790
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Specification

Methyl 2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate, with the CAS registry number 1190313-98-4, is also named as 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester. This chemical's molecular formula is C9H8N2O3 and molecular weight is 192.17. What's more, its systematic name is Methyl 2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate.

Physical properties of Methyl 2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate are: (1)ACD/LogP: 1.08±0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.93; (6)ACD/BCF (pH 7.4): 3.93; (7)ACD/KOC (pH 5.5): 92.63; (8)ACD/KOC (pH 7.4): 92.65; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.29 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 47.2±0.3 cm3; (15)Molar Volume: 142.2±3.0 cm3; (16)Polarizability: 18.7±0.5×10-24cm3; (17)Surface Tension: 53.9±3.0 dyne/cm; (18)Density: 1.4±0.1 g/cm3; (19)Flash Point: 217.1±28.7 °C; (20)Enthalpy of Vaporization: 69.2±3.0 kJ/mol; (21)Boiling Point: 435.3±45.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccnc2c1CC(=O)N2
(2)Std. InChI: InChI=1S/C9H8N2O3/c1-14-9(13)5-2-3-10-8-6(5)4-7(12)11-8/h2-3H,4H2,1H3,(H,10,11,12)
(3)Std. InChIKey: RYFNFRCPVVGOOJ-UHFFFAOYSA-N