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926926-62-7

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Basic Information
CAS No.: 926926-62-7
Name: 1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester
Molecular Structure:
Molecular Structure of 926926-62-7 (1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester)
Formula: C9H13N3O2
Molecular Weight: 195.21842
Synonyms: 1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester;ETHYL 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-3-CARBOXYLATE;4,5,6,7-Tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester;ethyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate
Density: 1.233 g/cm3
Boiling Point: 434.2 °C at 760 mmHg
Flash Point: 216.4 °C
PSA: 67.01000
LogP: 0.56090
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Specification

The 1H-Pyrazolo[4,3-c]pyridine-3-carboxylicacid, 4,5,6,7-tetrahydro-, ethyl ester, with CAS registry number 926926-62-7, has the systematic name of Ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate. And the chemical formula of this chemical is C9H13N3O2.

Physical properties of 1H-Pyrazolo[4,3-c]pyridine-3-carboxylicacid, 4,5,6,7-tetrahydro-, ethyl ester: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.89; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 67.01 Å2; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 50.7 cm3; (13)Molar Volume: 158.2 cm3; (14)Polarizability: 20.1×10-24cm3; (15)Surface Tension: 51.8 dyne/cm; (16)Density: 1.233 g/cm3; (17)Flash Point: 216.4 °C; (18)Enthalpy of Vaporization: 69.02 kJ/mol; (19)Boiling Point: 434.2 °C at 760 mmHg; (20)Vapour Pressure: 9.68E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c2c([nH]n1)CCNC2
(2)InChI: InChI=1/C9H13N3O2/c1-2-14-9(13)8-6-5-10-4-3-7(6)11-12-8/h10H,2-5H2,1H3,(H,11,12)
(3)InChIKey: PMOHZPNLNJKKRE-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H13N3O2/c1-2-14-9(13)8-6-5-10-4-3-7(6)11-12-8/h10H,2-5H2,1H3,(H,11,12)
(5)Std. InChIKey: PMOHZPNLNJKKRE-UHFFFAOYSA-N