2H-3,1-Benzoxazine-2,4(1H)-dione, 6,7-dimethoxy- supplier

Name
4,5-DIMETHOXY-ISATOIC ANHYDRIDE
EINECS
CAS No. 20197-92-6
Article Data1
CAS DataBase
Density 1.358 g/cm³
Solubility
Melting Point 255 °C(Solv: 1,4-dioxane (123-91-1))
Formula C₁₀H₉NO₅
Boiling Point
Molecular Weight 223.185
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 81.53000
LogP 0.49850

2H-3,1-Benzoxazine-2,4(1H)-dione, 6,7-dimethoxy- Specification

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

Product Name

4,5-DIMETHOXY-ISATOIC ANHYDRIDE

2H-3,1-Benzoxazine-2,4(1H)-dione, 6,7-dimethoxy- Specification

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