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Strepsilin

HCID 178782857
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Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
519-46-0
Standard SMILES
Cc1cc(O)cc2oc3cc(O)c4c(c3c12)COC4=O
InChIKey
OOXFLIUVCWLPKE-UHFFFAOYSA-N
Molecular formula
C15H10O5
Average molar mass
270.24 g/mol

Overview

Strepsilin is a member of dibenzofurans.

Names & identifiers

Preferred name
Strepsilin
IUPAC
4,8-dihydroxy-10-methyl-1H-[2]benzofuro[5,4-b][1]benzofuran-3-one
English name
4,8-Dihydroxy-10-methylisobenzofuro[5,4-b]benzofuran-3(1H)-one
Molecular formula
C15H10O5
Molecular weight
270.24

Names & synonyms

Strepsilin4,8-dihydroxy-10-methyl-1H-[2]benzofuro[5,4-b][1]benzofuran-3-one4,8-dihydroxy-10-methyl-1H-(2)benzofuro(5,4-b)(1)benzofuran-3-oneRefChem:185861SCHEMBL30057726CHEBI:1443054,8-Dihydroxy-10-methylisobenzofuro[5,4-b]benzofuran-3(1H)-oneIsobenzofuro[5,4-b]benzofuran-3(1H)-one, 4,8-dihydroxy-10-methyl- (8CI,9CI)

Database identifiers

CAS
519-46-0
ChEBI
CHEBI:144305
Nikkaji
J11.596G

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
79.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
20
Formal charge
0
Complexity
424

Physicochemical properties

Melting point
324 °C · 324 °C
Boiling point
430.2 · 430.2±45.0 °C(Predicted)
Density
1.587 · 1.587±0.06 g/cm3(Predicted)
pka
9.07 · 9.07±0.20(Predicted)

Chemistry & industry

Additional notes

DefinitionChEBI: Strepsilin is a member of dibenzofurans.

Related reactions

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Compound notes

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