Basic Information | Post buying leads | Suppliers |
Name |
4,5-Dihydro-2,4-benzoxazepin-3(1H)-one |
EINECS | N/A |
CAS No. | 39976-24-4 | Density | 1.186 g/cm3 |
PSA | 41.82000 | LogP | 1.06640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9NO2 | Boiling Point | 424.624 °C at 760 mmHg |
Molecular Weight | 163.176 | Flash Point | 210.605 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4,5-Dihydro-2,4-benzoxazepin-3(1H)-on;4,5-dihydro-1H-benzo[e][1,3]oxazepin-3-one;4,5-DIHYDRO-2,4-BENZOXAZEPIN-3(1H)-ONE; |
The 4,5-Dihydro-2,4-benzoxazepin-3(1H)-one, with the CAS registry number 39976-24-4, has the molecular formula C9H9NO2, besides, its molecular weight is 163.17. Its systematic name is called 4,5-dihydro-2,4-benzoxazepin-3(1H)-one.
Physical properties of 4,5-Dihydro-2,4-benzoxazepin-3(1H)-one: (1)ACD/LogP: -0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 118; (8)ACD/KOC (pH 7.4): 118; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 43.511 cm3; (14)Molar Volume: 137.575 cm3; (15)Surface Tension: 40.143 dyne/cm; (16)Density: 1.186 g/cm3; (17)Flash Point: 210.605 °C; (18)Enthalpy of Vaporization: 67.914 kJ/mol; (19)Boiling Point: 424.624 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCc2ccccc2CO1
(2)InChI: InChI=1/C9H9NO2/c11-9-10-5-7-3-1-2-4-8(7)6-12-9/h1-4H,5-6H2,(H,10,11)
(3)InChIKey: AALWJBPYOSUVOK-UHFFFAOYAW