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Name |
2H-Isoindole-2-propanoicacid, 1,3-dihydro-1-oxo- |
EINECS | N/A |
CAS No. | 83747-30-2 | Density | 1.325 g/cm3 |
PSA | 57.61000 | LogP | 1.05500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H11NO3 | Boiling Point | 447.9 °C at 760 mmHg |
Molecular Weight | 205.213 | Flash Point | 224.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-(1-OXO-1,3-Dihydro-2h-isoindol-2-yl)propanoic acid;3-(1-OXO-1,3-Dihydro-isoindol-2-yl)-propionic acid; |
Article Data | 5 |
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