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133841-08-4

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Basic Information
CAS No.: 133841-08-4
Name: 7-METHOXY-3-INDAZOLECARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 133841-08-4 (7-METHOXY-3-INDAZOLECARBOXYLIC ACID)
Formula: C9H8N2O3
Molecular Weight: 192.17
Synonyms: 7-METHOXY-3-INDAZOLECARBOXYLIC ACID;7-METHOXY-1H-INDAZOLE-3-CARBOXYLIC ACID;7-METHOXYINDAZOLE-3-CARBOXYLIC ACID
Density: 1.459g/cm3
Boiling Point: 467.6 °C at 760 mmHg
Flash Point: 236.6 °C
PSA: 75.21000
LogP: 1.26970
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Specification

The 1H-Indazole-3-carboxylicacid, 7-methoxy-, with CAS registry number 133841-08-4, has the systematic name of 7-methoxy-1H-indazole-3-carboxylic acid. Besides this, it is also called 7-Methoxy-3-indazolecarboxylic acid. And the chemical formula of this chemical is C9H8N2O3.

Physical properties of 1H-Indazole-3-carboxylicacid, 7-methoxy-: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 75.21 Å2; (7)Index of Refraction: 1.688; (8)Molar Refractivity: 50.22 cm3; (9)Molar Volume: 131.6 cm3; (10)Polarizability: 19.91×10-24cm3; (11)Surface Tension: 72.1 dyne/cm; (12)Density: 1.459 g/cm3; (13)Flash Point: 236.6 °C; (14)Enthalpy of Vaporization: 76.87 kJ/mol; (15)Boiling Point: 467.6 °C at 760 mmHg; (16)Vapour Pressure: 1.52E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2nnc1c(cccc12)OC
(2)InChI: InChI=1/C9H8N2O3/c1-14-6-4-2-3-5-7(6)10-11-8(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
(3)InChIKey: DSUBKQPNJIQYOT-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H8N2O3/c1-14-6-4-2-3-5-7(6)10-11-8(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
(5)Std. InChIKey: DSUBKQPNJIQYOT-UHFFFAOYSA-N