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3893-38-7

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Basic Information
CAS No.: 3893-38-7
Name: 1-(6-METHOXY-2-NAPHTHYL)ETHAN-1-ONE OXIME
Molecular Structure:
Molecular Structure of 3893-38-7 (1-(6-METHOXY-2-NAPHTHYL)ETHAN-1-ONE OXIME)
Formula: C13H13NO2
Molecular Weight: 215.25
Synonyms: 2'-Acetonaphthone,6'-methoxy-, oxime (7CI,8CI);
Density: 1.12 g/cm3
Boiling Point: 395.918 °C at 760 mmHg
Flash Point: 193.245 °C
PSA: 41.82000
LogP: 3.04660
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  • Ethanone,1-(6-methoxy-2-naphthalenyl)-, oxime

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  • 1-(6-METHOXY-2-NAPHTHYL)ETHAN-1-ONE OXIME

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Specification

The Ethanone,1-(6-methoxy-2-naphthalenyl)-, oxime is an organic compound with the formula C13H13NO2. The IUPAC name of this chemical is (2S,3R,4R,5S)-3,4,5-trihydroxy-2-methoxyhexanal. With the CAS registry number 3893-38-7, it is also named as 1-(6-Methoxy-2-naphthyl)ethan-1-one oxime.

Physical properties about Ethanone,1-(6-methoxy-2-naphthalenyl)-, oxime are: (1)ACD/LogP: 3.16; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 80; (5)ACD/BCF (pH 7.4): 80; (6)ACD/KOC (pH 5.5): 803; (7)ACD/KOC (pH 7.4): 803; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 41.82 Å2; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 62.282 cm3; (14)Molar Volume: 191.605 cm3; (15)Polarizability: 24.691×10-24cm3; (16)Surface Tension: 38.167 dyne/cm; (17)Density: 1.123 g/cm3; (18)Flash Point: 193.245 °C; (19)Enthalpy of Vaporization: 68.144 kJ/mol; (20)Boiling Point: 395.918 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O\N=C(\c1ccc2c(c1)ccc(OC)c2)C
(2)InChI: InChI=1/C13H13NO2/c1-9(14-15)10-3-4-12-8-13(16-2)6-5-11(12)7-10/h3-8,15H,1-2H3/b14-9+
(3)InChIKey: FKUMAWUBPURONA-NTEUORMPBZ
(4)Std. InChI: InChI=1S/C13H13NO2/c1-9(14-15)10-3-4-12-8-13(16-2)6-5-11(12)7-10/h3-8,15H,1-2H3/b14-9+
(5)Std. InChIKey: FKUMAWUBPURONA-NTEUORMPSA-N