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

Name
6,7-DiMethoxy-isochroMan-1,3-dione
EINECS 1312995-182-4
CAS No. 5653-42-9
Article Data13
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point 175 °C
Formula C₁₁H₁₀O₅
Boiling Point 415.338 °C at 760 mmHg
Molecular Weight 222.197
Flash Point 189.164 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6,7-Dimethoxyisochroman-1,3-dione;
PSA 61.83000
LogP 0.94330

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

The 1H-2-Benzopyran-1,3(4H)-dione,6,7- dimethoxy-, with the CAS registry number 5653-42-9, is also known as 6,7-Dimethoxy-1H-isochromene-1,3(4H)-dione. This chemical's molecular formula is C₁₁H₁₀O₅ and molecular weight is 222.19. What's more, its IUPAC name is called 6,7-Dimethoxy-4H-isochromene-1,3-dione.

Physical properties about 1H-2-Benzopyran-1,3(4H)-dione,6,7- dimethoxy- are: (1)ACD/LogP: 0.322; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.04; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 35.68; (8)ACD/KOC (pH 7.4): 35.68; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 53.651 cm³; (15)Molar Volume: 168.306 cm³; (16)Polarizability: 21.269×10^-24cm³; (17)Surface Tension: 46.895 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 189.164 °C; (20)Enthalpy of Vaporization: 66.841 kJ/mol; (21)Boiling Point: 415.338 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(=O)Cc2cc(OC)c(OC)cc12
(2) InChI: InChI=1S/C11H10O5/c1-14-8-3-6-4-10(12)16-11(13)7(6)5-9(8)15-2/h3,5H,4H2,1-2H3
(3) InChIKey: AATKSLBQUSPGJS-UHFFFAOYSA-N

Product Name

6,7-DiMethoxy-isochroMan-1,3-dione

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

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