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1060817-40-4 molecular structure
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3-(3-fluorophenyl)oxolane-3-carbaldehyde

ChemBase ID: 308353
Molecular Formular: C11H11FO2
Molecular Mass: 194.2022432
Monoisotopic Mass: 194.07430781
SMILES and InChIs

SMILES:
C1(c2cc(F)ccc2)(C=O)COCC1
Canonical SMILES:
O=CC1(COCC1)c1cccc(c1)F
InChI:
InChI=1S/C11H11FO2/c12-10-3-1-2-9(6-10)11(7-13)4-5-14-8-11/h1-3,6-7H,4-5,8H2
InChIKey:
XCVYIQJSZQHJSE-UHFFFAOYSA-N

Cite this record

CBID:308353 http://www.chembase.cn/molecule-308353.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3-fluorophenyl)oxolane-3-carbaldehyde
IUPAC Traditional name
3-(3-fluorophenyl)oxolane-3-carbaldehyde
Synonyms
3-(3-fluorophenyl)tetrahydro-3-furancarbaldehyde
CAS Number
1060817-40-4
MDL Number
MFCD11053959

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5829028  LogD (pH = 7.4) 1.5829028 
Log P 1.5829028  Molar Refractivity 50.5264 cm3
Polarizability 19.256405 Å3 Polar Surface Area 26.3 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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