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| CAS No.: | 19013-07-1 |
|---|---|
| Name: | 2,2-Dimethyl-6-acetyl-2H-1-benzopyran |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C13H14O2 |
| Molecular Weight: | 202.253 |
| Synonyms: | Ketone,2,2-dimethyl-2H-1-benzopyran-6-yl methyl (8CI);6-Acetyl-2,2-dimethyl-2H-1-benzopyran;6-Acetyl-2,2-dimethylchromene;Demethoxyencecalin;Desmethoxyencecalin; |
| Density: | 1.061 g/cm3 |
| Boiling Point: | 329.775 °C at 760 mmHg |
| Flash Point: | 147.718 °C |
| Appearance: | colorless transparent liquid or white solid |
| PSA: | 26.30000 |
| LogP: | 3.07340 |
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Specification
The Ethanone,1-(2,2-dimethyl-2H-1-benzopyran-6-yl)-, with the CAS registry number 19013-07-1, is also known as 1-(2,2-Dimethylchromen-6-yl)ethan-1-one. This chemical's molecular formula is C13H14O2 and molecular weight is 202.24906. Its IUPAC name is called 1-(2,2-dimethylchromen-6-yl)ethanone.
Physical properties of Ethanone,1-(2,2-dimethyl-2H-1-benzopyran-6-yl)-: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2.416; (3)ACD/LogD (pH 7.4): 2.416; (4)ACD/BCF (pH 5.5): 40.396; (5)ACD/BCF (pH 7.4): 40.396; (6)ACD/KOC (pH 5.5): 491.399; (7)ACD/KOC (pH 7.4): 491.399; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.531; (11)Molar Refractivity: 58.985 cm3; (12)Molar Volume: 190.544 cm3; (13)Surface Tension: 39.508 dyne/cm; (14)Density: 1.061 g/cm3; (15)Flash Point: 147.718 °C; (16)Enthalpy of Vaporization: 57.229 kJ/mol; (17)Boiling Point: 329.775 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=CC2=C(C=C1)OC(C=C2)(C)C
(2)InChI: InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3
(3)InChIKey: ZAJTXVHECZCXLH-UHFFFAOYSA-N