methyl 4-hydroxy-1H-indole-2-carboxylate supplier

Name
methyl 4-hydroxy-1H-indole-2-carboxylate
EINECS
CAS No. 27748-08-9
Article Data11
CAS DataBase
Density 1.383 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO₃
Boiling Point 405.639 °C at 760 mmHg
Molecular Weight 191.18
Flash Point 199.124 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 4-hydroxy-1H-indole-2-carboxylate;
PSA 62.32000
LogP 1.66010

methyl 4-hydroxy-1H-indole-2-carboxylate Specification

The methyl 4-hydroxy-1H-indole-2-carboxylate has the CAS registry number 27748-08-9. This chemical's molecular formula is C₁₀H₉NO₃ and molecular weight is 191.18. What's more, its systematic name is methyl 4-hydroxy-1H-indole-2-carboxylate.

Physical properties of methyl 4-hydroxy-1H-indole-2-carboxylate are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 237; (8)ACD/KOC (pH 7.4): 234; (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: 63.804 dyne/cm; (18)Density: 1.383 g/cm³; (19)Flash Point: 199.124 °C; (20)Enthalpy of Vaporization: 68.283 kJ/mol; (21)Boiling Point: 405.639 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c2cc1c(cccc1O)n2
(2)InChI: InChI=1S/C10H9NO3/c1-14-10(13)8-5-6-7(11-8)3-2-4-9(6)12/h2-5,11-12H,1H3
(3)InChIKey: YAODSTOIAVANEI-UHFFFAOYSA-N

Product Name

methyl 4-hydroxy-1H-indole-2-carboxylate

methyl 4-hydroxy-1H-indole-2-carboxylate Specification

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