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58514-96-8

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Basic Information
CAS No.: 58514-96-8
Name: 5-methoxy-1H-indazol-3-amine
Article Data: 8
Molecular Structure:
Molecular Structure of 58514-96-8 (5-methoxy-1H-indazol-3-amine)
Formula: C8H9N3O
Molecular Weight: 163.179
Synonyms: 1H-indazol-3-amine, 5-methoxy-;
Density: 1.344 g/cm3
Melting Point: 170-172 °C
Boiling Point: 406.3 °C at 760 mmHg
Flash Point: 199.5 °C
PSA: 64.66000
LogP: 1.08380
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Specification

This chemical is called 5-methoxy-1H-indazol-3-amine, and it can also be named as 1H-indazol-3-amine, 5-methoxy-. With the molecular formula of C8H9N3O, its molecular weight is 163.17656. The CAS registry number of this chemical is 58514-96-8. 

Other characteristics of the 5-methoxy-1H-indazol-3-amine can be summarised as follows: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.17; (6)ACD/BCF (pH 7.4): 4.2; (7)ACD/KOC (pH 5.5): 96.5; (8)ACD/KOC (pH 7.4): 97.29; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.93 Å2; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 47.53 cm3; (15)Molar Volume: 121.3 cm3; (16)Polarizability: 18.84×10-24 cm3; (17)Surface Tension: 67 dyne/cm; (18)Density: 1.344 g/cm3; (19)Flash Point: 199.5 °C; (20)Enthalpy of Vaporization: 65.8 kJ/mol; (21)Boiling Point: 406.3 °C at 760 mmHg; (22)Vapour Pressure: 8.21E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COc1cc2c(cc1)nnc2N
2.InChI: InChI=1/C8H9N3O/c1-12-5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H3,9,10,11)
3.InChIKey: BZMRACNPNBEQJQ-UHFFFAOYAZ