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921938-65-0

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Basic Information
CAS No.: 921938-65-0
Name: 3-Isocyanato-2-methylfuran
Molecular Structure:
Molecular Structure of 921938-65-0 (3-Isocyanato-2-methylfuran)
Formula: C6H5NO2
Molecular Weight: 123.111
Synonyms: 3-Isocyanato-2-methylfuran;2-Methylfuran-3-yl isocyanate;2-Methylfuran-3-yl isocyanate 97%
Density: 1.14 g/cm3
Boiling Point: 147 °C at 760 mmHg
Flash Point: 42.7 °C
Hazard Symbols: CorrosiveC
Risk Codes: 22
PSA: 42.57000
LogP: 1.55530
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Specification

This chemical is called Furan, 3-isocyanato-2-methyl-, and its systematic name is 3-isocyanato-2-methyl-furan. With the molecular formula of C6H5NO2, its molecular weight is 123.11. The CAS registry number of this chemical is 921938-65-0.

Other characteristics of the Furan, 3-isocyanato-2-methyl- can be summarised as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 42.57 Å2; (9)Index of Refraction: 1.518; (10)Molar Refractivity: 32.75 cm3; (11)Molar Volume: 107.9 cm3; (12)Polarizability: 12.98×10-24cm3; (13)Surface Tension: 38.1 dyne/cm; (14)Density: 1.14 g/cm3; (15)Flash Point: 42.7 °C; (16)Enthalpy of Vaporization: 38.4 kJ/mol; (17)Boiling Point: 147 °C at 760 mmHg; (18)Vapour Pressure: 4.52 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cc1c(cco1)N=C=O
2.InChI: InChI=1/C6H5NO2/c1-5-6(7-4-8)2-3-9-5/h2-3H,1H3
3.InChIKey: SMDGMPKSJDTEJQ-UHFFFAOYAT