Basic Information | Post buying leads | Suppliers |
Name |
1-Phenanthrenecarboxylicacid |
EINECS | N/A |
CAS No. | 27875-89-4 | Density | 1.306 g/cm3 |
PSA | 37.30000 | LogP | 3.69120 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H10O2 | Boiling Point | 467.48 °C at 760 mmHg |
Molecular Weight | 222.243 | Flash Point | 206.075 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 139679; |
The CAS registry number of 1-Phenanthrenecarboxylicacid is 27875-89-4. This chemical's molecular formula is C15H10O2 and molecular weight is 222.07. What's more, its systematic name is the same with its product name.
Physical properties about 1-Phenanthrenecarboxylicacid are: (1)ACD/LogP: 3.927; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 5.90; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 33.86; (8)ACD/KOC (pH 7.4): 2.71; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.743; (14)Molar Refractivity: 68.868 cm3; (15)Molar Volume: 170.195 cm3; (16)Polarizability: 27.301×10-24cm3; (17)Surface Tension: 61.74 dyne/cm; (18)Density: 1.306 g/cm3; (19)Flash Point: 206.075 °C; (20)Enthalpy of Vaporization: 76.854 kJ/mol; (21)Boiling Point: 467.48 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2c1ccc3c(c1ccc2)cccc3
(2) InChI: InChI=1S/C15H10O2/c16-15(17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H,(H,16,17)
(3) InChIKey: KFDKNTQGTAEZGC-UHFFFAOYSA-N