CAS No.480-91-1,ISOINDOLIN-1-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	480-91-1
Name:	ISOINDOLIN-1-ONE
Article Data:	19

Formula:	C₈H₇NO
Molecular Weight:	133.15
Synonyms:	Phthalimidine(6CI,7CI,8CI);1-Isoindolinone;1-Oxodihydroisoindole;1-Oxoisoindoline;2,3-Dihydro-1H-isoindol-1-one;2,3-Dihydroisoindol-1-one;3,4-Benzopyrrolidone;Isoindolinone;NSC 3689;
Density:	1.198 g/cm³
Melting Point:	149.0 to 153.0 °C
Boiling Point:	380.6 °C at 760 mmHg
Flash Point:	220.2 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	29.10000
LogP:	1.25880

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Specification

This chemical is called 1H-Isoindol-1-one,2,3-dihydro-, and its systematic name is 2,3-Dihydro-1H-isoindol-1-one. With the molecular formula of C₈H₇NO, its molecular weight is 133.15. The CAS registry number of this chemical is 480-91-1.

Other characteristics of the 1H-Isoindol-1-one,2,3-dihydro- can be summarised as followings: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.26; (8)ACD/KOC (pH 7.4): 34.26; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 37.29 cm³; (15)Molar Volume: 111 cm³; (16)Polarizability: 14.78×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.198 g/cm³; (19)Flash Point: 220.2 °C; (20)Enthalpy of Vaporization: 62.88 kJ/mol; (21)Boiling Point: 380.6 °C at 760 mmHg; (22)Vapour Pressure: 5.37E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2c1ccccc1CN2
2.InChI: InChI=1/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)
3.InChIKey: PXZQEOJJUGGUIB-UHFFFAOYAT