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81926-24-1 molecular structure
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4,10-dioxatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene

ChemBase ID: 178285
Molecular Formular: C10H10O2
Molecular Mass: 162.1852
Monoisotopic Mass: 162.06807956
SMILES and InChIs

SMILES:
c12c(cc3c(c1)CCO3)CCO2
Canonical SMILES:
C1Cc2c(O1)cc1c(c2)OCC1
InChI:
InChI=1S/C10H10O2/c1-3-11-9-6-8-2-4-12-10(8)5-7(1)9/h5-6H,1-4H2
InChIKey:
YQBBCPKSALSCAP-UHFFFAOYSA-N

Cite this record

CBID:178285 http://www.chembase.cn/molecule-178285.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,10-dioxatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
IUPAC Traditional name
4,10-dioxatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
Synonyms
2,3,6,7-Tetrahydro-benzo[1,2-b:4,5-b']difuran
CAS Number
81926-24-1
PubChem SID
164234195
PubChem CID
10986562

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T293070 external link Add to cart
PubChem 10986562 external link
Data Source Data ID Price
TRC
T293070 external link Add to cart Please log in.
Data Source Data ID
PubChem 10986562 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7376803  LogD (pH = 7.4) 1.7376803 
Log P 1.7376803  Molar Refractivity 45.6036 cm3
Polarizability 17.429728 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
White Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - T293070 external link
Reagent used in the preparation of potent 5-HT2 receptor agonists.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Chambers, J., et al.: J. Med. Chem., 44, 1003 (2001)
  • • Feng, Z., et al.: Bioorg. Med. Chem. Lett., 17, 2998 (2001)
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PATENTS

PATENTS

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INTERNET

INTERNET

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