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CAS No.: | 387350-58-5 |
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Name: | METHYL 3-FORMYLINDOLE-6-CARBOXYLATE |
Molecular Structure: | |
Formula: | C11H9NO3 |
Molecular Weight: | 203.19 |
Synonyms: | Methyl 3-formylindole-6-carboxylate;Methyl 3-formyl-1H-indole-6-carboxylate;3-Formyl-1H-Indole-6-Carboxylic Acid Methyl Ester;F-7295; |
Density: | 1.341 g/cm3 |
Melting Point: | 220-224ºC |
Boiling Point: | 404.4 °C at 760 mmHg |
Flash Point: | 198.4 °C |
Hazard Symbols: | Xi |
PSA: | 90.77000 |
LogP: | 1.98430 |
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The Benzoic acid,3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, with the CAS registry number 387350-58-5, is also known as Methyl 3-formylindole-6-carboxylate. This chemical's molecular formula is C11H9NO3 and molecular weight is 203.19. What's more, its systematic name is methyl 3-formyl-1H-indole-6-carboxylate.
Physical properties of Benzoic acid,3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 48.3 Å2; (7)Index of Refraction: 1.677; (8)Molar Refractivity: 57.05 cm3; (9)Molar Volume: 151.4 cm3; (10)Polarizability: 22.61×10-24 cm3; (11)Surface Tension: 59.5 dyne/cm; (12)Density: 1.341 g/cm3; (13)Flash Point: 198.4 °C; (14)Enthalpy of Vaporization: 65.59 kJ/mol; (15)Boiling Point: 404.4 °C at 760 mmHg; (16)Vapour Pressure: 9.46E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OC)c1ccc2c(c1)ncc2C=O
(2)InChI: InChI=1/C11H9NO3/c1-15-11(14)7-2-3-9-8(6-13)5-12-10(9)4-7/h2-6,12H,1H3
(3)InChIKey: KRDRROJESQUFMJ-UHFFFAOYAU