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CAS No.: | 25308-63-8 |
---|---|
Name: | 2-Phenanthrenecarboxylic acid methyl ester |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C16H12O2 |
Molecular Weight: | 236.27 |
Synonyms: | Methyl2-phenanthroate;methyl phenanthrene-2-carboxylate; |
Density: | 1.208 g/cm3 |
Melting Point: | 96-96.5 °C |
Boiling Point: | 405.366 °C at 760 mmHg |
Flash Point: | 194.335 °C |
PSA: | 26.30000 |
LogP: | 3.77960 |
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The 2-Phenanthrenecarboxylic acid methyl ester with the CAS number 25308-63-8 is also called Methyl2-phenanthroate. Both the systematic name and IUPAC name are methyl phenanthrene-2-carboxylate. Its molecular formula is C16H12O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 2-Phenanthrenecarboxylic acid methyl ester are: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.493; (4)ACD/LogD (pH 7.4): 4.493; (5)ACD/BCF (pH 5.5): 1529.314; (6)ACD/BCF (pH 7.4): 1529.314; (7)ACD/KOC (pH 5.5): 6623.09; (8)ACD/KOC (pH 7.4): 6623.09; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 73.711 cm3; (15)Molar Volume: 195.558 cm3; (16)Polarizability: 29.221×10-24cm3; (17)Surface Tension: 49.912 dyne/cm; (18)Enthalpy of Vaporization: 65.694 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccc2c(c1)ccc3c2cccc3
(2)InChI: InChI=1/C16H12O2/c1-18-16(17)13-8-9-15-12(10-13)7-6-11-4-2-3-5-14(11)15/h2-10H,1H3
(3)InChIKey: ATXRQOKSTOTYJH-UHFFFAOYAA