-
Name
1H-INDOLE-2,6-DICARBOXYLIC ACID
- EINECS
- CAS No. 103027-97-0
- Density 1.616 g/cm3
- Solubility
- Melting Point
- Formula C10H7NO4
- Boiling Point 578.5 °C at 760 mmHg
- Molecular Weight 205.17
- Flash Point 303.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Indole-2,6-dicarboxylicacid (6CI);6-Carboxyindole-2-carboxylic acid;
- PSA 90.39000
- LogP 1.56430
1H-Indole-2,6-dicarboxylicacid Specification
The IUPAC name of 1H-Indole-2,6-dicarboxylicacid is 1H-indole-2,6-dicarboxylic acid. With the CAS registry number 103027-97-0, it is also named as 6-Carboxyindole-2-carboxylic acid. The product's categories are Indole; Indoles. In addition, its molecular formula is C10H7NO4 and its molecular weight is 205.17.
The other characteristics of 1H-Indole-2,6-dicarboxylicacid can be summarized as: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.54; (4)ACD/LogD (pH 7.4): -2.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.53 Å2; (13)Index of Refraction: 1.763; (14)Molar Refractivity: 52.38 cm3; (15)Molar Volume: 126.9 cm3; (16)Polarizability: 20.76×10-24cm3; (17)Surface Tension: 93.7 dyne/cm; (18)Density: 1.616 g/cm3; (19)Flash Point: 303.7 °C; (20)Enthalpy of Vaporization: 91.07 kJ/mol; (21)Boiling Point: 578.5 °C at 760 mmHg; (22)Vapour Pressure: 3.18E-14 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)c1ccc2c(c1)nc(c2)C(=O)O
(2)InChI: InChI=1/C10H7NO4/c12-9(13)6-2-1-5-3-8(10(14)15)11-7(5)4-6/h1-4,11H,(H,12,13)(H,14,15)
(3)InChIKey: WXXRCNKKYCNYFF-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H7NO4/c12-9(13)6-2-1-5-3-8(10(14)15)11-7(5)4-6/h1-4,11H,(H,12,13)(H,14,15)
(5)Std. InChIKey: WXXRCNKKYCNYFF-UHFFFAOYSA-N
Related Products
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- 1H-Indole-2,3-dione
- 1H-Indole-2,3-dione, 1-(2,6-dichlorophenyl)-
- 1H-Indole-2,3-dione, 3-oxime
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- 1H-Indole-2,3-dione,4-bromo-7-methyl-
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- 1H-Indole-2,3-dione,5,7-dichloro-, 3-hydrazone
- 1H-Indole-2,3-dione,5-bromo-7-methyl-
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