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110659-07-9

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Basic Information
CAS No.: 110659-07-9
Name: 1-Acetyl-2,3-dihydro-1h-indole-2-carboxylic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 110659-07-9 (1-Acetyl-2,3-dihydro-1h-indole-2-carboxylic acid)
Formula: C11H11NO3
Molecular Weight: 219.24
Synonyms: 1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID;1-ACETYLINDOLINE-2-CARBOXYLIC ACID;N-ACETYL-2,3-DIHYDROINDOLE;N-ACETYL-2,3-DIHYDROINDOLE-2-CARBOXYLIC ACID;N-ACETYLINDOLINE-2-CARBOXYLIC ACID;1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID, METHYL ESTER
Density: 1.34 g/cm3
Boiling Point: 494.135 °C at 760 mmHg
Flash Point: 252.644 °C
PSA: 46.61000
LogP: 1.20220
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    110659-07-9

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  • 1-Acetyl-2,3-dihydro-1h-indole-2-carboxylic acid

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    1-Acetyl-2,3-dihydro-1h-indole-2-carboxylic acid

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  • 1-Acetyl-2,3-dihydro-1h-indole-2-carboxylic acid

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    1-Acetyl-2,3-dihydro-1h-indole-2-carboxylic acid

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Specification

The 1-Acetyl-2,3-dihydro-1h-indole-2-carboxylic acid is an organic compound with the formula C11H11NO3. The systematic name of this chemical is 1-acetyl-2,3-dihydro-1H-indole-2-carboxylic acid. With the CAS registry number 110659-07-9, it is also named as 1H-indole-2-carboxylic acid, 1-acetyl-2,3-dihydro-.

Physical properties about 1-Acetyl-2,3-dihydro-1h-indole-2-carboxylic acid are: (1)ACD/LogP: 2.71; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 57.61 Å2; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 52.694 cm3; (14)Molar Volume: 153.086 cm3; (15)Polarizability: 20.89×10-24cm3; (16)Surface Tension: 59.014 dyne/cm; (17)Density: 1.34 g/cm3; (18)Flash Point: 252.644 °C; (19)Enthalpy of Vaporization: 80.189 kJ/mol; (20)Boiling Point: 494.135 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2N(c1ccccc1C2)C(=O)C
(2)InChI: InChI=1/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
(3)InChIKey: OGMIMMRKTFZDKW-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
(5)Std. InChIKey: OGMIMMRKTFZDKW-UHFFFAOYSA-N