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CAS No.: | 56934-87-3 |
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Name: | 3,5-DIMETHYLISATOIC ANHYDRIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C10H9NO3 |
Molecular Weight: | 191.18 |
Synonyms: | 3,5-Dimethylisatoicanhydride; |
Density: | 1.284g/cm3 |
PSA: | 63.07000 |
LogP: | 1.09810 |
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The 2H-3,1-Benzoxazine-2,4(1H)-dione,6,8-dimethyl-, with CAS registry number 56934-87-3, has the systematic name of 6,8-dimethyl-2H-3,1-benzoxazine-2,4(1H)-dione. Besides this, it is also called 3,5-Dimethylisatoic anhydride. And the chemical formula of this chemical is C10H9NO3.
Physical properties of 2H-3,1-Benzoxazine-2,4(1H)-dione,6,8-dimethyl-: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 234; (8)ACD/KOC (pH 7.4): 234; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 55.4 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 48.68 cm3; (15)Molar Volume: 148.884 cm3; (16)Polarizability: 19.298×10-24cm3; (17)Surface Tension: 46.092 dyne/cm; (18)Density: 1.284 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(=O)Nc1c2cc(C)cc1C
(2)InChI: InChI=1/C10H9NO3/c1-5-3-6(2)8-7(4-5)9(12)14-10(13)11-8/h3-4H,1-2H3,(H,11,13)
(3)InChIKey: ADHBZSJTJJYPLQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H9NO3/c1-5-3-6(2)8-7(4-5)9(12)14-10(13)11-8/h3-4H,1-2H3,(H,11,13)
(5)Std. InChIKey: ADHBZSJTJJYPLQ-UHFFFAOYSA-N