1H-Indazole-3-carboxylicacid, 5-amino- supplier

Name
5-AMINO-1H-INDAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 78155-77-8
Article Data2
CAS DataBase
Density 1.612 g/cm³
Solubility
Melting Point 284 °C
Formula C₈H₇N₃O₂
Boiling Point 547.538 °C at 760 mmHg
Molecular Weight 177.162
Flash Point 284.941 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 5-Amino-1H-indazole-3-carboxylicacid;
PSA 92.00000
LogP 1.42450

1H-Indazole-3-carboxylicacid, 5-amino- Specification

The 1H-Indazole-3-carboxylicacid, 5-amino-, with the CAS registry number 78155-77-8, is also known as 5-Aminoindazole-3-carboxylic acid. This chemical's molecular formula is C₈H₇N₃O₂ and molecular weight is 177.16. What's more, its systematic name is called 5-Amino-1H-indazole-3-carboxylic acid.

Physical properties about 1H-Indazole-3-carboxylicacid, 5-amino- are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 92 Å²; (13)Index of Refraction: 1.819; (14)Molar Refractivity: 47.786 cm³; (15)Molar Volume: 109.905 cm³; (16)Surface Tension: 106.204 dyne/cm; (17)Density: 1.612 g/cm³; (18)Flash Point: 284.941 °C; (19)Enthalpy of Vaporization: 87.019 kJ/mol; (20)Boiling Point: 547.538 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2nnc1ccc(cc12)N
(2) InChI: InChI=1/C8H7N3O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,9H2,(H,10,11)(H,12,13)
(3) InChIKey: ZIFCSVSXHXFOAT-UHFFFAOYAH

Product Name

5-AMINO-1H-INDAZOLE-3-CARBOXYLIC ACID

1H-Indazole-3-carboxylicacid, 5-amino- Specification

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