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1H-Indole-2-carboxylicacid, 2,3-dihydro-

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Name

1H-Indole-2-carboxylicacid, 2,3-dihydro-

EINECS 240-875-8
CAS No. 16851-56-2 Density 1.286 g/cm3
PSA 49.33000 LogP 1.24580
Solubility N/A Melting Point 177 °C (dec.)(lit.)
Formula C9H9NO2 Boiling Point 380 °C at 760 mmHg
Molecular Weight 163.176 Flash Point 183.6 °C
Transport Information N/A Appearance N/A
Safety 22-36/37 Risk Codes 43-48/22-62
Molecular Structure Molecular Structure of 16851-56-2 (INDOLINE-2-CARBOXYLIC ACID) Hazard Symbols HarmfulXn
Synonyms

(?à)-2,3-Dihydroindole-2-carboxylicacid;(?à)-Indoline-2-carboxylic acid;2,3-Dihydroindole-2-carboxylic acid;

Article Data 15

1H-Indole-2-carboxylicacid, 2,3-dihydro- Specification

The 1H-Indole-2-carboxylicacid, 2,3-dihydro-, with CAS registry number 16851-56-2, belongs to the following product categories: (1)Amines; (2)Blocks; (3)Carboxes; (4)Indoles Oxindoles; (5)Indoles and derivatives; (6)Organic acids. It has the systematic name of 2,3-dihydro-1H-indole-2-carboxylic acid. And the chemical formula of this chemical is C9H9NO2. What's more, its EINECS is 278-899-6.

Physical properties of 1H-Indole-2-carboxylicacid, 2,3-dihydro-: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -2.75; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 43.27 cm3; (15)Molar Volume: 126.8 cm3; (16)Polarizability: 17.15×10-24cm3; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.286 g/cm3; (19)Flash Point: 183.6 °C; (20)Enthalpy of Vaporization: 66.26 kJ/mol; (21)Boiling Point: 380 °C at 760 mmHg; (22)Vapour Pressure: 1.88E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1H-Indole-2-carboxylicacid, 2,3-dihydro- may cause sensitization by skin contact. This chemical has danger of serious damage to health by prolonged exposure. And it has risk of impaired fertility, so do not breathe dust. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2Nc1ccccc1C2
(2)InChI: InChI=1/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)
(3)InChIKey: QNRXNRGSOJZINA-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)
(5)Std. InChIKey: QNRXNRGSOJZINA-UHFFFAOYSA-N

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