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CAS No.: | 54951-36-9 |
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Name: | 6-METHOXY-1-TETRALONE OXIME |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C11H13NO2 |
Molecular Weight: | 191.23 |
Synonyms: | 6-Methoxy-1-tetraloneoxime;6-Methoxy-a-tetraloneoxime;6-Methoxytetralone oxime; |
Density: | 1.19 g/cm3 |
Boiling Point: | 363.4 °C at 760 mmHg |
Flash Point: | 173.6 °C |
PSA: | 41.82000 |
LogP: | 2.20980 |
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The 1(2H)-Naphthalenone,3,4-dihydro-6-methoxy-, oxime, with the CAS registry number 54951-36-9, has the systematic name of (1Z)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one oxime. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H13NO2.
The characteristics of 1(2H)-Naphthalenone,3,4-dihydro-6-methoxy-, oxime are as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.56; (6)ACD/BCF (pH 7.4): 27.56; (7)ACD/KOC (pH 5.5): 373.77; (8)ACD/KOC (pH 7.4): 373.76; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.82 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 53.24 cm3; (15)Molar Volume: 160.2 cm3; (16)Polarizability: 21.1×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 173.6 °C; (20)Enthalpy of Vaporization: 64.3 kJ/mol; (21)Boiling Point: 363.4 °C at 760 mmHg; (22)Vapour Pressure: 6.43E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccc2/C(=N\O)CCCc2c1)C
(2)InChI: InChI=1/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(10)12-13/h5-7,13H,2-4H2,1H3/b12-11-
(3)InChIKey: QEPLWBMPKVIAOH-QXMHVHEDBF