1H-Indazole-3-carboxylicacid, 1-methyl-, ethyl ester supplier

Name
ETHYL 1-METHYL-1H-INDAZOLE-3-CARBOXYLATE
EINECS
CAS No. 220488-05-1
Article Data1
CAS DataBase
Density 1.19g/cm³
Solubility
Melting Point 58 °C
Formula C₁₁H₁₂N₂O₂
Boiling Point 326.5 °C at 760 mmHg
Molecular Weight 204.228
Flash Point 151.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Ethoxycarbonyl-1-methylindazole;
PSA 44.12000
LogP 1.75000

1H-Indazole-3-carboxylicacid, 1-methyl-, ethyl ester Specification

The 1H-Indazole-3-carboxylicacid, 1-methyl-, ethyl ester, with CAS registry number 220488-05-1, has the systematic name of ethyl 1-methyl-1H-indazole-3-carboxylate. And the chemical formula of this chemical is C₁₁H₁₂N₂O₂.

Physical properties of 1H-Indazole-3-carboxylicacid, 1-methyl-, ethyl ester: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 42.04; (6)ACD/BCF (pH 7.4): 42.04; (7)ACD/KOC (pH 5.5): 505.6; (8)ACD/KOC (pH 7.4): 505.6; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 57.02 cm³; (15)Molar Volume: 170.1 cm³; (16)Polarizability: 22.6×10^-24cm³; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 151.3 °C; (20)Enthalpy of Vaporization: 56.87 kJ/mol; (21)Boiling Point: 326.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000215 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2nn(c1ccccc12)C
(2)InChI: InChI=1/C11H12N2O2/c1-3-15-11(14)10-8-6-4-5-7-9(8)13(2)12-10/h4-7H,3H2,1-2H3
(3)InChIKey: BFBXCNIZWSOGIE-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H12N2O2/c1-3-15-11(14)10-8-6-4-5-7-9(8)13(2)12-10/h4-7H,3H2,1-2H3
(5)Std. InChIKey: BFBXCNIZWSOGIE-UHFFFAOYSA-N

Product Name

ETHYL 1-METHYL-1H-INDAZOLE-3-CARBOXYLATE

1H-Indazole-3-carboxylicacid, 1-methyl-, ethyl ester Specification

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