1H-Indazole-3-carboxylic acid, 5-methoxy-, methyl ester supplier

Name
METHYL 5-METHOXY-1H-INDAZOLE-3-CARBOXYLATE
EINECS
CAS No. 90915-65-4
Article Data6
CAS DataBase
Density 1.313 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀N₂O₃
Boiling Point 382.235 °C at 760 mmHg
Molecular Weight 206.20
Flash Point 184.969 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 5-methoxy-1H-indazole-3-carboxylate;
PSA 64.21000
LogP 1.35810

1H-Indazole-3-carboxylic acid, 5-methoxy-, methyl ester Specification

The 1H-Indazole-3-carboxylic acid, 5-methoxy-, methyl ester has the CAS registry number 90915-65-4. This chemical's molecular formula is C₁₀H₁₀N₂O₃ and molecular weight is 206.20. What's more, its systematic name is methyl 5-methoxy-1H-indazole-3-carboxylate.

Physical properties of 1H-Indazole-3-carboxylic acid, 5-methoxy-, methyl ester are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.996; (6)ACD/BCF (pH 7.4): 35.993; (7)ACD/KOC (pH 5.5): 452.462; (8)ACD/KOC (pH 7.4): 452.43; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.21 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 55.072 cm³; (15)Molar Volume: 156.99 cm³; (16)Polarizability: 21.832×10^-24cm³; (17)Surface Tension: 54.411 dyne/cm; (18)Density: 1.313 g/cm³; (19)Flash Point: 184.969 °C; (20)Enthalpy of Vaporization: 63.062 kJ/mol; (21)Boiling Point: 382.235 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=C(C=C1)NN=C2C(=O)OC
(2)InChI: InChI=1S/C10H10N2O3/c1-14-6-3-4-8-7(5-6)9(12-11-8)10(13)15-2/h3-5H,1-2H3,(H,11,12)
(3)InChIKey: XLHDOXBGJGKFDH-UHFFFAOYSA-N

Product Name

METHYL 5-METHOXY-1H-INDAZOLE-3-CARBOXYLATE

1H-Indazole-3-carboxylic acid, 5-methoxy-, methyl ester Specification

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