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| Name |
1H-Indene-1,3(2H)-dione,2-(3-methyl-1-oxo-2-buten-1-yl)- |
EINECS | N/A |
| CAS No. | 6134-98-1 | Density | 1.229g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H12O3 | Boiling Point | 416.4 °C at 760 mmHg |
| Molecular Weight | 228.247 | Flash Point | 182 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,3-Indandione,2-(3-methylcrotonoyl)- (7CI,8CI);1H-Indene-1,3(2H)-dione,2-(3-methyl-1-oxo-2-butenyl)- (9CI);2-(b-Methylcrotonyl)-indandione-1,3;NSC 102490; |
1H-Indene-1,3(2H)-dione,2-(3-methyl-1-oxo-2-buten-1-yl)- Specification
The 1H-Indene-1,3(2H)-dione,2-(3-methyl-1-oxo-2-buten-1-yl)-, with CAS registry number 6134-98-1, has the systematic name of 2-(3-methylbut-2-enoyl)-1H-indene-1,3(2H)-dione. And the chemical formula of this chemical is C14H12O3. Its molecular weight is 228.2433.
Physical properties of 1H-Indene-1,3(2H)-dione,2-(3-methyl-1-oxo-2-buten-1-yl)-: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 51.21 Å2; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 61.69 cm3; (9)Molar Volume: 185.7 cm3; (10)Polarizability: 24.45×10-24cm3; (11)Surface Tension: 48.5 dyne/cm; (12)Density: 1.229 g/cm3; (13)Flash Point: 182 °C; (14)Enthalpy of Vaporization: 66.96 kJ/mol; (15)Boiling Point: 416.4 °C at 760 mmHg; (16)Vapour Pressure: 3.83E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)C2C(=O)\C=C(/C)C
(2)InChI: InChI=1/C14H12O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-7,12H,1-2H3
(3)InChIKey: KWVMEUYISWAZHM-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C14H12O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-7,12H,1-2H3
(5)Std. InChIKey: KWVMEUYISWAZHM-UHFFFAOYSA-N
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