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CAS No.: | 5684-15-1 |
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Name: | 5-Formyl-4-phenanthroicacid |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C16H10O3 |
Molecular Weight: | 250.254 |
Synonyms: | 4,5-Phenanthraldehydicacid;4-Formyl-5-carboxyphenanthrene;4-Formylphenanthrene-5-carboxylic acid;5-Formyl-4-phenanthrenecarboxylic acid;5-Formyl-4-phenanthroic acid;NSC407705; |
Density: | 1.376 g/cm3 |
Boiling Point: | 532.2 °C at 760 mmHg |
Flash Point: | 289.7 °C |
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The 4-Phenanthrenecarboxylicacid, 5-formyl-, with the CAS registry number 5684-15-1, is also known as 5-formyl-4-phenanthrenecarboxylic acid. Its molecular formula is C16H10O3 and its molecular weight is 250.2488. Additionally, its IUPAC name is 5-formylphenanthrene-4-carboxylic acid.
Other characteristics of the 4-Phenanthrenecarboxylicacid, 5-formyl- can be summarised as followings: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 3.43; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.23; (8)ACD/KOC (pH 7.4): 2.16; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.77; (14)Molar Refractivity: 75.62 cm3; (15)Molar Volume: 181.8 cm3; (16)Polarizability: 29.97×10-24cm3; (17)Surface Tension: 67.9 dyne/cm; (18)Density: 1.376 g/cm3; (19)Flash Point: 289.7 °C; (20)Enthalpy of Vaporization: 85.04 kJ/mol; (21)Boiling Point: 532.2 °C at 760 mmHg; (22)Vapour Pressure: 3.71E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1c3c(ccc1)ccc2cccc(C(=O)O)c23
2.InChI: InChI=1/C16H10O3/c17-9-12-5-1-3-10-7-8-11-4-2-6-13(16(18)19)15(11)14(10)12/h1-9H,(H,18,19)
3.InChIKey: WNGATLAAVNRKQO-UHFFFAOYAB