Methyl 3-formyl-4-indazolecarboxylate supplier

Name
Methyl 3-formyl-4-indazolecarboxylate
EINECS
CAS No. 433728-79-1
Article Data1
CAS DataBase
Density 1.411 g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₂O₃
Boiling Point 419.4 °C at 760 mmHg
Molecular Weight 204.185
Flash Point 207.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-formyl-1H-indazole-4-carboxylate;
PSA 72.05000
LogP 1.16200

Methyl 3-formyl-4-indazolecarboxylate Specification

The Methyl 3-formyl-4-indazolecarboxylate, with the CAS registry number of 433728-79-1, is also known as Methyl-3-al-4-indazole carboxylate. This chemical's molecular formula is C₁₀H₈N₂O₃ and molecular weight is 204.18. What's more, its systematic name is called Methyl 3-formyl-1H-indazole-4-carboxylate.

Physical properties about Methyl 3-formyl-4-indazolecarboxylate are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.51; (6)ACD/BCF (pH 7.4): 3.5; (7)ACD/KOC (pH 5.5): 85.41; (8)ACD/KOC (pH 7.4): 85.34; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.05 Å²; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 55.14 cm³; (15)Molar Volume: 144.6 cm³; (16)Surface Tension: 67.5 dyne/cm; (17)Density: 1.411 g/cm³; (18)Flash Point: 207.4 °C; (19)Enthalpy of Vaporization: 67.31 kJ/mol; (20)Boiling Point: 419.4 °C at 760 mmHg; (21)Vapour Pressure: 3.06E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)c1cccc2nnc(C=O)c12
(2) InChI: InChI=1/C10H8N2O3/c1-15-10(14)6-3-2-4-7-9(6)8(5-13)12-11-7/h2-5H,1H3,(H,11,12)
(3) InChIKey: CDBSKNBUJHKNGF-UHFFFAOYAB

Product Name

Methyl 3-formyl-4-indazolecarboxylate

Methyl 3-formyl-4-indazolecarboxylate Specification

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