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CAS No.: | 20197-92-6 |
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Name: | 4,5-DIMETHOXY-ISATOIC ANHYDRIDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H9NO5 |
Molecular Weight: | 223.185 |
Synonyms: | 4,5-Dimethoxy-N-carboxyanthranililicanhydride;4,5-Dimethoxyisatoic anhydride;6,7-Dimethoxy-1,2-dihydro-4H-3,1-benzoxazine-2,4-dione;6,7-Dimethoxy-1H-benzo[d][1,3]oxazin-2,4-dione;6,7-Dimethoxyisatoic anhydride; |
Density: | 1.358 g/cm3 |
Melting Point: | 255 °C(Solv: 1,4-dioxane (123-91-1)) |
PSA: | 81.53000 |
LogP: | 0.49850 |
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The CAS register number of 2H-3,1-Benzoxazine-2,4(1H)-dione, 6,7-dimethoxy- is 20197-92-6. It also can be called as 6,7-dimethoxy-1H-benzo[d]1,3-oxazaperhydroine-2,4-dione and the IUPAC name about this chemical is 6,7-dimethoxy-1H-3,1-benzoxazine-2,4-dione. The molecular formula about this chemical is C10H9NO5 and the molecular weight is 223.18.
Physical properties about 2H-3,1-Benzoxazine-2,4(1H)-dione, 6,7-dimethoxy- are: (1)ACD/LogP: 0.99; (2)ACD/LogD (pH 5.5): 0.99; (3)ACD/LogD (pH 7.4): 0.98; (4)ACD/BCF (pH 5.5): 3.3; (5)ACD/BCF (pH 7.4): 3.3; (6)ACD/KOC (pH 5.5): 81.89; (7)ACD/KOC (pH 7.4): 81.65; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 65.07Å2; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 52.38 cm3; (14)Molar Volume: 164.3 cm3; (15)Polarizability: 20.76x10-24cm3; (16)Surface Tension: 46.2 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(=O)Nc2cc(OC)c(OC)cc12
(2)InChI: InChI=1/C10H9NO5/c1-14-7-3-5-6(4-8(7)15-2)11-10(13)16-9(5)12/h3-4H,1-2H3,(H,11,13)
(3)InChIKey: SHWCMBUPQTWNES-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H9NO5/c1-14-7-3-5-6(4-8(7)15-2)11-10(13)16-9(5)12/h3-4H,1-2H3,(H,11,13)
(5)Std. InChIKey: SHWCMBUPQTWNES-UHFFFAOYSA-N