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230642-84-9 molecular structure
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4-ethenyl-2,3-dihydro-1-benzofuran

ChemBase ID: 287979
Molecular Formular: C10H10O
Molecular Mass: 146.1858
Monoisotopic Mass: 146.07316494
SMILES and InChIs

SMILES:
C=Cc1c2CCOc2ccc1
Canonical SMILES:
C=Cc1cccc2c1CCO2
InChI:
InChI=1S/C10H10O/c1-2-8-4-3-5-10-9(8)6-7-11-10/h2-5H,1,6-7H2
InChIKey:
WLZOPMPOGRQZCJ-UHFFFAOYSA-N

Cite this record

CBID:287979 http://www.chembase.cn/molecule-287979.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethenyl-2,3-dihydro-1-benzofuran
IUPAC Traditional name
4-ethenyl-2,3-dihydro-1-benzofuran
Synonyms
4-Vinyl-2,3-dihydrobenzofuran
CAS Number
230642-84-9
PubChem SID
180673510
PubChem CID
11446416

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD163958 Please log in.
Data Source Data ID
PubChem 11446416 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5921652  LogD (pH = 7.4) 2.5921652 
Log P 2.5921652  Molar Refractivity 45.5171 cm3
Polarizability 17.416513 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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