2H-3,1-Benzoxazine-2,4(1H)-dione,6,8-dimethyl- supplier

Name
3,5-DIMETHYLISATOIC ANHYDRIDE
EINECS
CAS No. 56934-87-3
Article Data4
CAS DataBase
Density 1.284g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO₃
Boiling Point
Molecular Weight 191.18
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Dimethylisatoicanhydride;
PSA 63.07000
LogP 1.09810

2H-3,1-Benzoxazine-2,4(1H)-dione,6,8-dimethyl- Specification

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

Product Name

3,5-DIMETHYLISATOIC ANHYDRIDE

2H-3,1-Benzoxazine-2,4(1H)-dione,6,8-dimethyl- Specification

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