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CAS No.: | 146603-28-3 |
---|---|
Name: | 1H-PERIMIDINE-2-CARBOXYLIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H8N2O2 |
Molecular Weight: | 212.208 |
Synonyms: | 1H-PERIMIDINE-2-CARBOXYLIC ACID |
Density: | 1.47 g/cm3 |
Boiling Point: | 485.1 °C at 760 mmHg |
Flash Point: | 247.2 °C |
PSA: | 65.98000 |
LogP: | 2.41430 |
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The 1H-Perimidine-2-carboxylicacid has CAS registry number 146603-28-3. This chemical's molecular formula is C12H8N2O2 and molecular weight is 212.20. What's more, its systematic name is 1H-perimidine-2-carboxylic acid.
Physical properties of 1H-Perimidine-2-carboxylicacid are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.15; (4)ACD/LogD (pH 7.4): -2.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.9 Å2; (13)Index of Refraction: 1.737; (14)Molar Refractivity: 58.01 cm3; (15)Molar Volume: 144.2 cm3; (16)Polarizability: 22.99×10-24cm3; (17)Surface Tension: 61.6 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 247.2 °C; (20)Enthalpy of Vaporization: 79.05 kJ/mol; (21)Boiling Point: 485.1 °C at 760 mmHg; (22)Vapour Pressure: 3.18E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C/2=N/c1c3c(ccc1)cccc3N\2
(2)Std. InChI: InChI=1S/C12H8N2O2/c15-12(16)11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H,13,14)(H,15,16)
(3)Std. InChIKey: SSLKCRRRVHOPOI-UHFFFAOYSA-N