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CAS No.: | 93735-22-9 |
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Name: | 7-Methoxy-3,4-dihydro-2H-benzo[1,4]oxazine |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C9H11NO2 |
Molecular Weight: | 165.192 |
Synonyms: | 7-Methoxy-3,4-dihydro-2H-1,4-benzoxazine; |
Density: | 1.121 g/cm3 |
Boiling Point: | 295.512 °C at 760 mmHg |
Flash Point: | 111.892 °C |
PSA: | 30.49000 |
LogP: | 1.63750 |
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The 7-Methoxy-3,4-dihydro-2H-benzo[1,4]oxazine, with the CAS registry number 93735-22-9, is also known as 2H-1,4-Benzoxazine,3,4-dihydro-7-methoxy-. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.19. What's more, its systematic name is 7-Methoxy-3,4-dihydro-2H-1,4-benzoxazine.
Physical properties of 7-Methoxy-3,4-dihydro-2H-benzo[1,4]oxazine are: (1)ACD/LogP: 1.335; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.10; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 3.56; (6)ACD/BCF (pH 7.4): 6.04; (7)ACD/KOC (pH 5.5): 74.08 ; (8)ACD/KOC (pH 7.4): 125.70; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.49 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 45.447 cm3; (15)Molar Volume: 147.342 cm3; (16)Polarizability: 18.017×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.121 g/cm3; (19)Flash Point: 111.892 °C; (20)Enthalpy of Vaporization: 53.523 kJ/mol; (21)Boiling Point: 295.512 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2NCCOc2c1
(2)Std. InChI: InChI=1S/C9H11NO2/c1-11-7-2-3-8-9(6-7)12-5-4-10-8/h2-3,6,10H,4-5H2,1H3
(3)Std. InChIKey: SHPHWZPKRWHBKE-UHFFFAOYSA-N