Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethanone,1-(1-hydroxy-4-methoxy-2-naphthalenyl)- |
EINECS | N/A |
CAS No. | 73584-59-5 | Density | 1.218 g/cm3 |
PSA | 46.53000 | LogP | 2.75660 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H12O3 | Boiling Point | 379.4 °C at 760 mmHg |
Molecular Weight | 216.236 | Flash Point | 147.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2'-Acetonaphthone,1'-hydroxy-4'-methoxy- (5CI);1-(1-Hydroxy-4-methoxy-2-naphthalenyl)ethanone;2-Acetyl-1-hydroxy-4-methoxynaphthalene; |
Article Data | 2 |
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