Basic Information | Post buying leads | Suppliers |
Name |
2-Oxoindoline-3-carbaldehyde |
EINECS | N/A |
CAS No. | 78610-70-5 | Density | 1.37 g/cm3 |
PSA | 46.17000 | LogP | 1.05920 |
Solubility | N/A | Melting Point |
205-206 °C |
Formula | C9H7NO2 | Boiling Point | 345.7 °C at 760 mmHg |
Molecular Weight | 161.16 | Flash Point | 166.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-indole-3-carboxaldehyde, 2,3-dihydro-2-oxo-;2-oxoindoline-3-carbaldehyde;2-oxoindoline-3-carbaldehyde; |
The 2-Oxo-1,3-dihydroindole-3-carbaldehyde, with the CAS registry number 78610-70-5, is also known as 1H-indole-3-carboxaldehyde, 2,3-dihydro-2-oxo-. And the molecular formula of this chemical is C9H7NO2. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 2-Oxo-1,3-dihydroindole-3-carbaldehyde are as following: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1.54; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 47.19; (8)ACD/KOC (pH 7.4): 19.25; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 43.9 cm3; (15)Molar Volume: 117.6 cm3; (16)Polarizability: 17.4×10-24cm3; (17)Surface Tension: 64 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 166.9 °C; (20)Enthalpy of Vaporization: 58.98 kJ/mol; (21)Boiling Point: 345.7 °C at 760 mmHg; (22)Vapour Pressure: 6.05E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CC2c1ccccc1NC2=O
(2)InChI: InChI=1/C9H7NO2/c11-5-7-6-3-1-2-4-8(6)10-9(7)12/h1-5,7H,(H,10,12)
(3)InChIKey: NEWVVIDKMOJCCS-UHFFFAOYAM