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| CAS No.: | 24088-77-5 |
|---|---|
| Name: | 7-Methyl-2H-1,3-benzoxazine-2,4(3H)-dione |
| Molecular Structure: | |
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| Formula: | C9H7NO3 |
| Molecular Weight: | 177.159 |
| Synonyms: | 7-Methyl-2H-1,3-benzoxazine-2,4(3H)-dione;7-Methyl-2H-benzo[e][1,3]oxazine-2,4(3H)-dione |
| Density: | 1.336 g/cm3 |
| Boiling Point: | 357-358℃ at 100.9kPa |
| PSA: | 63.07000 |
| LogP: | 0.78970 |
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Specification
The 7-Methyl-1,3-Benzoxazine-2,4-dione is an organic compound with the formula C9H7NO3. The systematic name of this chemical is 7-methyl-2H-1,3-benzoxazine-2,4(3H)-dione. With the CAS registry number 24088-77-5, it is also named as 2H-1,3-benzoxazine-2,4(3H)-dione, 7-methyl-.
Physical properties about 7-Methyl-1,3-Benzoxazine-2,4-dione are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 6; (5)ACD/BCF (pH 7.4): 6; (6)ACD/KOC (pH 5.5): 132; (7)ACD/KOC (pH 7.4): 131; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Polar Surface Area: 55.4 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 43.855 cm3; (13)Molar Volume: 132.609 cm3; (14)Polarizability: 17.385×10-24cm3; (15)Surface Tension: 48.338 dyne/cm; (16)Density: 1.336 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2c(OC(=O)N1)cc(cc2)C
(2)InChI: InChI=1/C9H7NO3/c1-5-2-3-6-7(4-5)13-9(12)10-8(6)11/h2-4H,1H3,(H,10,11,12)
(3)InChIKey: HQUVXRFXGBZDNB-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H7NO3/c1-5-2-3-6-7(4-5)13-9(12)10-8(6)11/h2-4H,1H3,(H,10,11,12)
(5)Std. InChIKey: HQUVXRFXGBZDNB-UHFFFAOYSA-N