4-Hydroxy-6-methoxycarbonylindole supplier

Name
4-HYDROXY-1H-INDOLE-6-CARBOXYLIC ACID METHYL ESTER
EINECS 200-258-5
CAS No. 77140-48-8
Article Data4
CAS DataBase
Density 1.383 g/cm³
Solubility Slightly soluble in water (2.5 g/L) (25°C).
Melting Point 148-149℃ (dichloromethane )
Formula C₁₀H₉NO₃
Boiling Point 435.48 °C at 760 mmHg
Molecular Weight 191.186
Flash Point 217.171 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hydroxy-1H-indole-6-carboxylic acid methyl ester;Methyl 4-hydroxy-1H-indole-6-carboxylate;
PSA 62.32000
LogP 1.66010

4-Hydroxy-6-methoxycarbonylindole Specification

The 4-Hydroxy-6-methoxycarbonylindole, with the CAS registry number 77140-48-8, is also known as 4-Hydroxy-1H-indole-6-carboxylic acid methyl ester. This chemical's molecular formula is C₁₀H₉NO₃ and molecular weight is 152.21. What's more, its systematic name is Methyl 4-hydroxy-1H-indole-6-carboxylate.

Physical properties of 4-Hydroxy-6-methoxycarbonylindole are: (1)ACD/LogP: 1.814; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 14.08; (6)ACD/BCF (pH 7.4): 13.93; (7)ACD/KOC (pH 5.5): 231.12; (8)ACD/KOC (pH 7.4): 228.56; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 62.32 Å²; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 52.183 cm³; (15)Molar Volume: 138.194 cm³; (16)Polarizability: 20.687×10^-24cm³; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.383 g/cm³; (19)Flash Point: 217.171 °C; (20)Enthalpy of Vaporization: 71.847 kJ/mol; (21)Boiling Point: 435.48 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c2cc1nccc1c(O)c2
(2)Std. InChI: InChI=1S/C10H9NO3/c1-14-10(13)6-4-8-7(2-3-11-8)9(12)5-6/h2-5,11-12H,1H3
(3)Std. InChIKey: YCLHTEHHXRJHKC-UHFFFAOYSA-N

Product Name

4-HYDROXY-1H-INDOLE-6-CARBOXYLIC ACID METHYL ESTER

4-Hydroxy-6-methoxycarbonylindole Specification

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