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63106-93-4 molecular structure
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1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one

ChemBase ID: 293826
Molecular Formular: C11H10O2
Molecular Mass: 174.1959
Monoisotopic Mass: 174.06807956
SMILES and InChIs

SMILES:
O=C1C2(c3ccccc3)CC2CO1
Canonical SMILES:
O=C1OCC2C1(C2)c1ccccc1
InChI:
InChI=1S/C11H10O2/c12-10-11(6-9(11)7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey:
WZGFIZUMKYUMRN-UHFFFAOYSA-N

Cite this record

CBID:293826 http://www.chembase.cn/molecule-293826.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
IUPAC Traditional name
1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
Synonyms
1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CAS Number
63106-93-4
PubChem SID
180679357
PubChem CID
11745119

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD43886 Please log in.
Data Source Data ID
PubChem 11745119 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8390341  LogD (pH = 7.4) 1.8390341 
Log P 1.8390341  Molar Refractivity 47.547 cm3
Polarizability 18.837843 Å3 Polar Surface Area 26.3 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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