Ethanone,1-(1-hydroxy-4-methoxy-2-naphthalenyl)- supplier

Name
1-(1-HYDROXY-4-METHOXY-NAPHTHALEN-2-YL)-ETHANONE
EINECS
CAS No. 73584-59-5
Article Data2
CAS DataBase
Density 1.218 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₂O₃
Boiling Point 379.4 °C at 760 mmHg
Molecular Weight 216.236
Flash Point 147.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2'-Acetonaphthone,1'-hydroxy-4'-methoxy- (5CI);1-(1-Hydroxy-4-methoxy-2-naphthalenyl)ethanone;2-Acetyl-1-hydroxy-4-methoxynaphthalene;
PSA 46.53000
LogP 2.75660

Ethanone,1-(1-hydroxy-4-methoxy-2-naphthalenyl)- Specification

The Ethanone,1-(1-hydroxy-4-methoxy-2-naphthalenyl)-, with the CAS registry number 51864-09-6, is also known as 2-Acetyl-1-hydroxy-4-methoxynaphthalene. This chemical's molecular formula is C₁₃H₁₂O₃ and molecular weight is 216.23. What's more, its systematic name is called 1-(1-Hydroxy-4-methoxynaphthalen-2-yl)ethanone.

Physical properties about Ethanone,1-(1-hydroxy-4-methoxy-2-naphthalenyl)- are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 183.76; (6)ACD/BCF (pH 7.4): 172.14; (7)ACD/KOC (pH 5.5): 1452.93; (8)ACD/KOC (pH 7.4): 1361.05; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 62.68 cm³; (15)Molar Volume: 177.5 cm³; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.218 g/cm³; (18)Flash Point: 147.4 °C; (19)Enthalpy of Vaporization: 65.2 kJ/mol; (20)Boiling Point: 379.4 °C at 760 mmHg; (21)Vapour Pressure: 2.69E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2cc(OC)c1ccccc1c2O)C
(2) InChI: InChI=1/C13H12O3/c1-8(14)11-7-12(16-2)9-5-3-4-6-10(9)13(11)15/h3-7,15H,1-2H3
(3) InChIKey: QJSWNSVBYZKFSS-UHFFFAOYAR

Product Name

1-(1-HYDROXY-4-METHOXY-NAPHTHALEN-2-YL)-ETHANONE

Ethanone,1-(1-hydroxy-4-methoxy-2-naphthalenyl)- Specification

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