Basic Information | Post buying leads | Suppliers |
Name |
Benzoic acid,3-(1H-indol-5-yl)- |
EINECS | N/A |
CAS No. | 886363-16-2 | Density | 1.32 g/cm3 |
PSA | 53.09000 | LogP | 3.53310 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H11NO2 | Boiling Point | 523.9 °C at 760 mmHg |
Molecular Weight | 237.258 | Flash Point | 270.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(1H-Indol-6-yl)benzoic acid;3-(1H-Indol-7-yl)benzoic acid;REF DUPL: 3-(5-Indole)benzoic acid;3-(1H-indol-3-yl)benzoic acid |
This chemical is called Benzoic acid, 3-(1H-indol-5-yl)-, and its systematic name is 3-(1H-indol-5-yl)benzoic acid. With the molecular formula of C15H11NO2, its molecular weight is 237.26. The CAS registry number of this chemical is 886363-16-2.
Other characteristics of the Benzoic acid, 3-(1H-indol-5-yl)- can be summarised as followings: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 23.05; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 143.7; (8)ACD/KOC (pH 7.4): 3.76; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 70.05 cm3; (15)Molar Volume: 179.6 cm3; (16)Polarizability: 27.77×10-24cm3; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 270.7 °C; (20)Enthalpy of Vaporization: 83.98 kJ/mol; (21)Boiling Point: 523.9 °C at 760 mmHg; (22)Vapour Pressure: 8.34E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c3cc(c1cc2c(cc1)ncc2)ccc3
2.InChI: InChI=1/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18)
3.InChIKey: VKHHKQSCGXEKEE-UHFFFAOYAL