Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Phenanthrenol, 2,5,7-trimethoxy- |
EINECS | N/A |
CAS No. | 51415-00-0 | Density | 1.246 g/cm3 |
PSA | 47.92000 | LogP | 3.72440 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H16O4 | Boiling Point | 493.7 °C at 760 mmHg |
Molecular Weight | 284.31 | Flash Point | 252.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,5,7-trimethoxyphenanthren-3-ol;2,5,7-Trimethoxy-3-phenanthrenol;Batatasin I; |
Article Data | 3 |
The 3-Phenanthrenol, 2,5,7-trimethoxy-, with the CAS registry number 51415-00-0, is also known as 2,5,7-Trimethoxy-3-phenanthrenol. This chemical's molecular formula is C17H16O4 and molecular weight is 284.31. What's more, its IUPAC name is 2,5,7-trimethoxyphenanthren-3-ol.
Physical properties of 3-Phenanthrenol, 2,5,7-trimethoxy- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 36.92 Å2; (7)Index of Refraction: 1.656; (8)Molar Refractivity: 83.85 cm3; (9)Molar Volume: 228.1 cm3; (10)Polarizability: 33.24×10-24cm3; (11)Surface Tension: 47.8 dyne/cm; (12)Density: 1.246 g/cm3; (13)Flash Point: 252.4 °C; (14)Enthalpy of Vaporization: 78.98 kJ/mol; (15)Boiling Point: 493.7 °C at 760 mmHg; (16)Vapour Pressure: 2.27E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C2C(=C1)C=CC3=CC(=C(C=C32)O)OC)OC
(2)InChI: InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3
(3)InChIKey: KGYHMWVRKYFQQR-UHFFFAOYSA-N