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CAS No.: | 312973-24-3 |
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Name: | 3-Formylindole-7-carboxylic acid methyl ester |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H9NO3 |
Molecular Weight: | 203.197 |
Synonyms: | 3-FORMYLINDOLE-7-CARBOXYLIC ACID METHYL ESTER;1H-Indole-7-carboxylic acid, 3-forMyl-, Methyl ester |
Density: | 1.341g/cm3 |
Boiling Point: | 404.4 °C at 760 mmHg |
Flash Point: | 198.4 °C |
PSA: | 59.16000 |
LogP: | 1.76700 |
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The 3-Formylindole-7-carboxylic acid methyl ester with the cas number 312973-24-3 is also called 1H-Indole-7-carboxylicacid, 3-formyl-, methyl ester. The systematic name is methyl 3-formyl-1H-indole-7-carboxylate. Its molecular formula is C11H9NO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4 #H bond donors: 1 ; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 48.3 Å2; (6)Index of Refraction: 1.677; (7)Molar Refractivity: 57.05 cm3; (8)Molar Volume: 151.4 cm3; (9)Polarizability: 22.61×10-24cm3; (10)Surface Tension: 59.5 dyne/cm; (11)Enthalpy of Vaporization: 65.59 kJ/mol; (12)Vapour Pressure: 9.46×10-7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cccc2c1ncc2C=O
(2)InChI: InChI=1/C11H9NO3/c1-15-11(14)9-4-2-3-8-7(6-13)5-12-10(8)9/h2-6,12H,1H3
(3)InChIKey: JVUPHJBFLSMOGY-UHFFFAOYAZ