Name: 9H-CARBAZOLE-3-CARBOXYLIC ACID
SKU: 51035-17-7

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Basic Information

Molecular Structure:
CAS No.:	51035-17-7
Name:	9H-CARBAZOLE-3-CARBOXYLIC ACID
Article Data:	21

Formula:	C₁₃H₉NO₂
Molecular Weight:	211.22
Synonyms:	Carbazole-3-carboxylicacid (7CI);
EINECS:	200-258-5
Density:	1.422g/cm³
Melting Point:	276-278 °C
Boiling Point:	497.2 °C at 760 mmHg
Flash Point:	254.5 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	53.09000
LogP:	3.01930

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Specification

The 9H-Carbazole-3-carboxylicacid, with CAS registry number 51035-17-7, has the systematic name of 9H-carbazole-3-carboxylic acid. Besides this, it is also called carbazole-3-carboxylic acid. And the chemical formula of this chemical is C₁₃H₉NO₂.

Physical properties of 9H-Carbazole-3-carboxylicacid: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 16.47; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 123.02; (8)ACD/KOC (pH 7.4): 2.84; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.796; (14)Molar Refractivity: 63.3 cm³; (15)Molar Volume: 148.5 cm³; (16)Polarizability: 25.09×10^-24cm³; (17)Surface Tension: 74.7 dyne/cm; (18)Density: 1.422 g/cm³; (19)Flash Point: 254.5 °C; (20)Enthalpy of Vaporization: 80.57 kJ/mol; (21)Boiling Point: 497.2 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c3cc2c1ccccc1nc2cc3
(2)InChI: InChI=1/C13H9NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H,(H,15,16)
(3)InChIKey: UZRJWXGXZKPSJO-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C13H9NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H,(H,15,16)
(5)Std. InChIKey: UZRJWXGXZKPSJO-UHFFFAOYSA-N