Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Indole-3-carboxaldehyde,4-hydroxy- |
EINECS | N/A |
CAS No. | 81779-27-3 | Density | 1.439 g/cm3 |
PSA | 53.09000 | LogP | 1.68600 |
Solubility | N/A | Melting Point |
198-200 °C |
Formula | C9H7NO2 | Boiling Point | 426.28 °C at 760 mmHg |
Molecular Weight | 161.16 | Flash Point | 211.607 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Hydroxy-3-indolecarbaldehyde;4-Hydroxy-3-indolecarboxaldehyde;4-hydroxy-1H-indole-3-carbaldehyde;1H-indole-3-carboxaldehyde, 4-hydroxy-;4-Hydroxy-1H-indole-3-carbaldehyde; |
Article Data | 6 |
The 1H-Indole-3-carboxaldehyde,4-hydroxy-, with the CAS registry number 81779-27-3, has the systematic name and IUPAC name of 4-hydroxy-1H-indole-3-carbaldehyde. And the molecular formula of the chemical is C9H7NO2.
The characteristics of 1H-Indole-3-carboxaldehyde,4-hydroxy- are as followings: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 78; (8)ACD/KOC (pH 7.4): 77; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.09 Å2; (13)Index of Refraction: 1.784; (14)Molar Refractivity: 47.163 cm3; (15)Molar Volume: 111.967 cm3; (16)Polarizability: 18.697×10-24cm3; (17)Surface Tension: 76.173 dyne/cm; (18)Density: 1.439 g/cm3; (19)Flash Point: 211.607 °C; (20)Enthalpy of Vaporization: 70.742 kJ/mol; (21)Boiling Point: 426.28 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc2c1c(cccc1O)nc2
(2)InChI: InChI=1/C9H7NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-5,10,12H
(3)InChIKey: QLBZIZLLMNWTHG-UHFFFAOYAG