CAS No.1008-92-0,2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1008-92-0
Name:	2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBONITRILE
Article Data:	18

Formula:	C₉H₇NO₂
Molecular Weight:	161.16
Synonyms:	1,4-Benzodioxan-2-carbonitrile(7CI,8CI);2,3-Dihydro-1,4-benzodioxin-2-carbonitrile;2-Cyano-1,4-benzodioxan;
EINECS:	200-258-5
Density:	1.26 g/cm³
Melting Point:	NA
Boiling Point:	310.7 °C at 760 mmHg
Flash Point:	136.2 °C
PSA:	42.25000
LogP:	1.34998

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Specification

The 2,3-Dihydrobenzo[1,4]dioxine-2-carbonitrile with the cas number 1008-92-0 is also called 1,4-Benzodioxin-2-carbonitrile,2,3-dihydro-. The systematic name is 2,3-dihydro-1,4-benzodioxine-2-carbonitrile. Its molecular formula is C₉H₇NO₂.

The properties of the chemical are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 2.58; (6)ACD/BCF (pH 7.4): 2.58; (7)ACD/KOC (pH 5.5): 68.53; (8)ACD/KOC (pH 7.4): 68.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.25 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 41.99 cm³; (15)Molar Volume: 127.2 cm³; (16)Polarizability: 16.64×10^-24cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Enthalpy of Vaporization: 55.16 kJ/mol; (19)Vapour Pressure: 0.000589 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC1Oc2ccccc2OC1
(2)InChI: InChI=1/C9H7NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,6H2
(3)InChIKey: DNLJHDDOVWQQEW-UHFFFAOYAR