Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Benzoxepin-5(2H)-one,3,4-dihydro- |
EINECS | N/A |
CAS No. | 6786-30-7 | Density | 1.145 g/cm3 |
PSA | 26.30000 | LogP | 2.04190 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10O2 | Boiling Point | 286.6 °C at 760 mmHg |
Molecular Weight | 162.188 | Flash Point | 133.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Oxabicyclo[5.4.0]undeca-7,9,11-trien-6-one;Homochromanone; |
Article Data | 22 |
The 1-Benzoxepin-5(2H)-one,3,4-dihydro-, with the CAS registry number 6786-30-7, is also known as 3,4-Dihydro-1-benzoxepin-5(2H)-one. This chemical's molecular formula is C10H10O2 and molecular weight is 162.1852. What's more, its IUPAC name is called 3,4-Dihydro-2H-1-benzoxepin-5-one.
Physical properties about 1-Benzoxepin-5(2H)-one,3,4-dihydro- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 44.77 cm3; (9)Molar Volume: 141.5 cm3; (10)Surface Tension: 40.9 dyne/cm; (11)Density: 1.145 g/cm3; (12)Flash Point: 133.7 °C; (13)Enthalpy of Vaporization: 52.57 kJ/mol; (14)Boiling Point: 286.6 °C at 760 mmHg; (15)Vapour Pressure: 0.00261 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c2c(OCCC1)cccc2
(2) InChI: InChI=1/C10H10O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6H,3,5,7H2
(3) InChIKey: KNTMEDNZPJADJU-UHFFFAOYAQ