 Home > Encyclopedia > 1-Ethoxy-1,3-dihydro-4-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde

1-Ethoxy-1,3-dihydro-4-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde

1-Ethoxy-1,3-dihydro-4-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde structure

CAS No:
63090-99-3
Formula:
C21H18O9
Chemical Name:
1-Ethoxy-1,3-dihydro-4-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde
Synonyms:
Vesuvianic acid

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1-Ethoxy-1,3-dihydro-4-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde Basic Attributes

Molecular Weight：

414.36222

Exact Mass：

414.095

Characteristics

PSA：

118

XLogP3：

3.1

Computed Properties

Molecular Weight:414.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:414.09508215
Monoisotopic Mass:414.09508215
Topological Polar Surface Area:118
Heavy Atom Count:30
Complexity:696
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Ethoxy-1,3-dihydro-4-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde

Basic Attributes
Characteristics
Computed Properties

1-Ethoxy-1,3-dihydro-4-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde

SDS

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