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CAS No.: | 58960-11-5 |
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Name: | 6-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H11NO2 |
Molecular Weight: | 165.192 |
Synonyms: | 6-Methoxy-3,4-dihydro-2H-1,4-benzoxazine; |
Density: | 1.121 g/cm3 |
Boiling Point: | 279.543 °C at 760 mmHg |
Flash Point: | 106.01 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 30.49000 |
LogP: | 1.63750 |
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The 6-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine has the CAS registry number 58960-11-5. Its systematic name is 6-Methoxy-3,4-dihydro-2H-1,4-benzoxazine. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.19. What's more, it belongs to the product category of Pharmacetical.
Physical properties of 6-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine are: (1)ACD/LogP: 1.68; (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): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 133; (8)ACD/KOC (pH 7.4): 138; (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: 18.017×10-24 cm3; (17)Surface Tension: 38.723 dyne/cm; (18)Density: 1.121 g/cm3; (19)Flash Point: 106.01 °C; (20)Enthalpy of Vaporization: 51.823 kJ/mol; (21)Boiling Point: 279.543 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=C(C=C1)OCCN2
(2)InChI: InChI=1S/C9H11NO2/c1-11-7-2-3-9-8(6-7)10-4-5-12-9/h2-3,6,10H,4-5H2,1H3
(3)InChIKey: XLJYIYIBJUWRLF-UHFFFAOYSA-N