Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid |
EINECS | N/A |
CAS No. | 114915-75-2 | Density | 1.483 g/cm3 |
PSA | 54.37000 | LogP | 1.43640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H8O3 | Boiling Point | 394.3 °C at 760 mmHg |
Molecular Weight | 188.18 | Flash Point | 206.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(1-oxo-1H-inden-2(3H)-ylidene)acetic acid; |
Article Data | 2 |
The 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid with the cas number 114915-75-2 is also called 2-(1-oxo-1H-inden-2(3H)-ylidene)acetic acid. The systematic name is 2-(1-oxoindan-2-ylidene)acetic acid. Its molecular formula is C11H8O3. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 54.37 Å2; (7)Index of Refraction: 1.736; (8)Molar Refractivity: 51 cm3; (9)Molar Volume: 126.8 cm3; (10)Polarizability: 20.21×10-24cm3; (11)Surface Tension: 83.8 dyne/cm; (12)Enthalpy of Vaporization: 67.95 kJ/mol ; (13)Vapour Pressure: 6.35×10-7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C=C2Cc1ccccc1C2=O
(2)InChI: InChI=1/C11H8O3/c12-10(13)6-8-5-7-3-1-2-4-9(7)11(8)14/h1-4,6H,5H2,(H,12,13)
(3)InChIKey: CRIAYPLBQCVXMB-UHFFFAOYAK