Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
methyl 4-hydroxy-1H-indole-2-carboxylate |
EINECS | N/A |
CAS No. | 27748-08-9 | Density | 1.383 g/cm3 |
PSA | 62.32000 | LogP | 1.66010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9NO3 | Boiling Point | 405.639 °C at 760 mmHg |
Molecular Weight | 191.18 | Flash Point | 199.124 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 4-hydroxy-1H-indole-2-carboxylate; |
Article Data | 11 |
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