2H-Isoindole-2-aceticacid, 1,3-dihydro-1-oxo- supplier

Name
(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ACETIC ACID
EINECS
CAS No. 39221-42-6
Article Data9
CAS DataBase
Density 1.382g/cm³
Solubility
Melting Point 208-211 °C
Formula C₁₀H₉NO₃
Boiling Point 439.8 °C at 760 mmHg
Molecular Weight 191.186
Flash Point 219.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Isoindolineaceticacid, 1-oxo- (7CI);2-(1-Oxo-1,3-dihydroisoindol-2-yl)acetic acid;
PSA 57.61000
LogP 0.66490

2H-Isoindole-2-aceticacid, 1,3-dihydro-1-oxo- Specification

The 2H-Isoindole-2-aceticacid, 1,3-dihydro-1-oxo-, with CAS registry number 39221-42-6, has the systematic name of (1-oxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid. Besides this, it is also called (1-Oxo-1,3-dihydro-isoindol-2-yl)-acetic acid. And the chemical formula of this chemical is C₁₀H₉NO₃.

Physical properties of 2H-Isoindole-2-aceticacid, 1,3-dihydro-1-oxo-: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 48.4 cm³; (13)Molar Volume: 138.2 cm³; (14)Polarizability: 19.18×10^-24cm³; (15)Surface Tension: 60.8 dyne/cm; (16)Density: 1.382 g/cm³; (17)Flash Point: 219.8 °C; (18)Enthalpy of Vaporization: 73.44 kJ/mol; (19)Boiling Point: 439.8 °C at 760 mmHg; (20)Vapour Pressure: 1.65E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1CN2CC(=O)O
(2)InChI: InChI=1/C10H9NO3/c12-9(13)6-11-5-7-3-1-2-4-8(7)10(11)14/h1-4H,5-6H2,(H,12,13)
(3)InChIKey: FPVHLXPCDHFPPN-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H9NO3/c12-9(13)6-11-5-7-3-1-2-4-8(7)10(11)14/h1-4H,5-6H2,(H,12,13)
(5)Std. InChIKey: FPVHLXPCDHFPPN-UHFFFAOYSA-N

Product Name

(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ACETIC ACID

2H-Isoindole-2-aceticacid, 1,3-dihydro-1-oxo- Specification

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