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MFCD08235195 molecular structure
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4-phenoxyfuran-2-carbaldehyde

ChemBase ID: 90795
Molecular Formular: C11H8O3
Molecular Mass: 188.17942
Monoisotopic Mass: 188.04734412
SMILES and InChIs

SMILES:
o1cc(Oc2ccccc2)cc1C=O
Canonical SMILES:
O=Cc1occ(c1)Oc1ccccc1
InChI:
InChI=1S/C11H8O3/c12-7-10-6-11(8-13-10)14-9-4-2-1-3-5-9/h1-8H
InChIKey:
DDQUEXYWZTWDSY-UHFFFAOYSA-N

Cite this record

CBID:90795 http://www.chembase.cn/molecule-90795.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenoxyfuran-2-carbaldehyde
IUPAC Traditional name
4-phenoxyfuran-2-carbaldehyde
Synonyms
4-Phenoxy-2-furaldehyde
4-Phenoxyfuran-2-carboxaldehyde 95%
MDL Number
MFCD08235195
PubChem SID
162077526
PubChem CID
26967178

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6180 external link Add to cart Please log in.
Data Source Data ID
PubChem 26967178 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.246282  LogD (pH = 7.4) 2.246282 
Log P 2.246282  Molar Refractivity 51.2737 cm3
Polarizability 19.426453 Å3 Polar Surface Area 39.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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