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CAS No.: | 524-80-1 |
---|---|
Name: | CARBAZOL-9-YL-ACETIC ACID |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C14H11NO2 |
Molecular Weight: | 225.247 |
Synonyms: | 2-(9H-Carbazol-9-yl)acetic acid; |
Density: | 1.26 g/cm3 |
Melting Point: | 191-194 °C |
Boiling Point: | 387.6 °C at 760 mmHg |
Flash Point: | 188.2 °C |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 26 |
PSA: | 42.23000 |
LogP: | 2.87910 |
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The 9H-Carbazole-9-aceticacid, with the CAS registry number of 524-80-1, is also known as 2-(9H-Carbazol-9-yl)acetic acid. This chemical's molecular formula is C14H11NO2 and molecular weight is 225.24. What's more, its IUPAC name is 2-Carbazol-9-ylacetic acid.
Physical properties about the 9H-Carbazole-9-aceticacid are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/BCF (pH 5.5): 1.49; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.92; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 31.23 Å2; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 65.07 cm3; (14)Molar Volume: 177.8 cm3; (15)Surface Tension: 51.3 dyne/cm; (16)Density: 1.26 g/cm3; (17)Flash Point: 188.2 °C; (18)Enthalpy of Vaporization: 67.16 kJ/mol; (19)Boiling Point: 387.6 °C at 760 mmHg; (20)Vapour Pressure: 1.06E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. Besides, the dust of this chemical can not be breathed.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cn3c1ccccc1c2c3cccc2
(2) InChI: InChI=1/C14H11NO2/c16-14(17)9-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8H,9H2,(H,16,17)
(3) InChIKey: PBDMLLFEZXXJNE-UHFFFAOYAW