1,4-Oxazepin-5(2H)-one,3,4-dihydro-7-methyl- supplier

Name
3,4-dihydro-7-methyl-1,4-oxazepin-5(2H)-one
EINECS 247-534-2
CAS No. 26244-73-5
Density 1.068 g/cm³
Solubility
Melting Point
Formula C₆H₉NO₂
Boiling Point 290.947 °C at 760 mmHg
Molecular Weight 127.143
Flash Point 129.76 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Methyl-3,4-dihydro-1,4-oxazepin-5(2H)-one;3,4-Dihydro-7-methyl-1,4-oxazepin-5(2H)-one;
PSA 41.82000
LogP 0.31250

1,4-Oxazepin-5(2H)-one,3,4-dihydro-7-methyl- Specification

The 1,4-Oxazepin-5(2H)-one,3,4-dihydro-7-methyl-, with the CAS registry number 26244-73-5, is also known as 3,4-Dihydro-7-methyl-1,4-oxazepin-5(2H)-one. Its EINECS number is 247-534-2. This chemical's molecular formula is C₆H₉NO₂ and molecular weight is 127.14. What's more, its systematic name is 7-methyl-3,4-dihydro-1,4-oxazepin-5(2H)-one.

Physical properties of 1,4-Oxazepin-5(2H)-one,3,4-dihydro-7-methyl- are: (1)ACD/LogP: -0.94; (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): 15; (6)ACD/KOC (pH 7.4): 15; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 38.33 Å²; (11)Index of Refraction: 1.457; (12)Molar Refractivity: 32.45 cm³; (13)Molar Volume: 119.044 cm³; (14)Polarizability: 12.864×10^-24cm³; (15)Surface Tension: 29.88 dyne/cm; (16)Density: 1.068 g/cm³; (17)Flash Point: 129.76 °C; (18)Enthalpy of Vaporization: 53.035 kJ/mol; (19)Boiling Point: 290.947 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C=C(\OCCN1)C
(2)InChI: InChI=1S/C6H9NO2/c1-5-4-6(8)7-2-3-9-5/h4H,2-3H2,1H3,(H,7,8)
(3)InChIKey: LQOSMNPESNBCQK-UHFFFAOYSA-N

Product Name

3,4-dihydro-7-methyl-1,4-oxazepin-5(2H)-one

1,4-Oxazepin-5(2H)-one,3,4-dihydro-7-methyl- Specification

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