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83747-30-2

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Basic Information
CAS No.: 83747-30-2
Name: 3-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)PROPANOIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 83747-30-2 (3-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)PROPANOIC ACID)
Formula: C11H11NO3
Molecular Weight: 205.213
Synonyms: 3-(1-OXO-1,3-Dihydro-2h-isoindol-2-yl)propanoic acid;3-(1-OXO-1,3-Dihydro-isoindol-2-yl)-propionic acid;
Density: 1.325 g/cm3
Boiling Point: 447.9 °C at 760 mmHg
Flash Point: 224.7 °C
Hazard Symbols: IrritantXi
PSA: 57.61000
LogP: 1.05500
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Specification

The CAS register number of 2H-Isoindole-2-propanoicacid, 1,3-dihydro-1-oxo- is 83747-30-2. It also can be called as 3-(1-OXO-1,3-Dihydro-isoindol-2-yl)-propionic acid and the systematic name about this chemical is 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid. The molecular formula about this chemical is C11H11NO3 and the molecular weight is 205.21. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.

Physical properties about 2H-Isoindole-2-propanoicacid, 1,3-dihydro-1-oxo- are: (1)ACD/LogP: 0.04; (2)ACD/LogD (pH 5.5): -1.31; (3)ACD/LogD (pH 7.4): -3.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 53.03 cm3; (14)Molar Volume: 154.7 cm3; (15)Polarizability: 21.02x10-24cm3; (16)Surface Tension: 57.5 dyne/cm; (17)Density: 1.325 g/cm3; (18)Flash Point: 224.7 °C; (19)Enthalpy of Vaporization: 74.43 kJ/mol; (20)Boiling Point: 447.9 °C at 760 mmHg; (21)Vapour Pressure: 8.34E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1CN2CCC(=O)O
(2)InChI: InChI=1/C11H11NO3/c13-10(14)5-6-12-7-8-3-1-2-4-9(8)11(12)15/h1-4H,5-7H2,(H,13,14)
(3)InChIKey: QMNYVASLMSOSFP-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H11NO3/c13-10(14)5-6-12-7-8-3-1-2-4-9(8)11(12)15/h1-4H,5-7H2,(H,13,14)
(5)Std. InChIKey: QMNYVASLMSOSFP-UHFFFAOYSA-N