3,5-Dihydroxy-4-hydroxymethyl-7-methoxy-6-methylisobenzofuran-1(3H)-one is a complex organic compound with the molecular formula C10H12O6. It is a derivative of isobenzofuran, a heterocyclic aromatic compound, and features a unique structure with multiple hydroxyl and methoxy groups. 3,5-Dihydroxy-4-hydroxymethyl-7-methoxy-6-methylisobenzofuran-1(3H)-one is characterized by the presence of two hydroxyl groups at the 3rd and 5th carbon atoms, a hydroxymethyl group at the 4th carbon, a methoxy group at the 7th carbon, and a methyl group at the 6th carbon. The compound exhibits a 3H-isobenzofuran-1-one structure, indicating a lactone ring with a hydrogen atom at the 3rd position. Due to its intricate structure and functional groups, it has potential applications in various fields, such as pharmaceuticals and chemical research, where it may be used as an intermediate or a building block for more complex molecules.
477-98-5
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Basic information
- Product Name: 3,5-Dihydroxy-4-hydroxymethyl-7-methoxy-6-methylisobenzofuran-1(3H)-one
- Synonyms: 3,5-Dihydroxy-4-(hydroxymethyl)-7-methoxy-6-methylisobenzofuran-1(3H)-one;3,5-Dihydroxy-4-hydroxymethyl-7-methoxy-6-methylisobenzofuran-1(3H)-one;4-(Hydroxymethyl)-3,5-dihydroxy-6-methyl-7-methoxyphthalide;Cyclopolic acid
- CAS NO:477-98-5
- Molecular Formula: C11H12O6
- Molecular Weight: 240.21
- EINECS: N/A
- Product Categories: N/A
- Mol File: 477-98-5.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 610.2°C at 760 mmHg
- Flash Point: 245°C
- Appearance: /
- Density: 1.544g/cm3
- Vapor Pressure: 9.62E-16mmHg at 25°C
- Refractive Index: 1.653
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 7.85±0.40(Predicted)
- CAS DataBase Reference: 3,5-Dihydroxy-4-hydroxymethyl-7-methoxy-6-methylisobenzofuran-1(3H)-one(CAS DataBase Reference)
- NIST Chemistry Reference: 3,5-Dihydroxy-4-hydroxymethyl-7-methoxy-6-methylisobenzofuran-1(3H)-one(477-98-5)
- EPA Substance Registry System: 3,5-Dihydroxy-4-hydroxymethyl-7-methoxy-6-methylisobenzofuran-1(3H)-one(477-98-5)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 477-98-5(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 477-98-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,7 and 7 respectively; the second part has 2 digits, 9 and 8 respectively.Calculate Digit Verification of CAS Registry Number 477-98:
(5*4)+(4*7)+(3*7)+(2*9)+(1*8)=95
95 % 10 = 5
So 477-98-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H12O6/c1-4-8(13)5(3-12)6-7(9(4)16-2)11(15)17-10(6)14/h10,12-14H,3H2,1-2H3
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3,5-Dihydroxy-4-hydroxymethyl-7-methoxy-6-methylisobenzofuran-1(3H)-one
