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332165-48-7 molecular structure
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methyl 5-(4-formylphenoxymethyl)furan-2-carboxylate

ChemBase ID: 311378
Molecular Formular: C14H12O5
Molecular Mass: 260.24208
Monoisotopic Mass: 260.06847348
SMILES and InChIs

SMILES:
c1(oc(cc1)COc1ccc(C=O)cc1)C(=O)OC
Canonical SMILES:
O=Cc1ccc(cc1)OCc1ccc(o1)C(=O)OC
InChI:
InChI=1S/C14H12O5/c1-17-14(16)13-7-6-12(19-13)9-18-11-4-2-10(8-15)3-5-11/h2-8H,9H2,1H3
InChIKey:
AYHOLHMSJNQTNA-UHFFFAOYSA-N

Cite this record

CBID:311378 http://www.chembase.cn/molecule-311378.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 5-(4-formylphenoxymethyl)furan-2-carboxylate
IUPAC Traditional name
methyl 5-(4-formylphenoxymethyl)furan-2-carboxylate
Synonyms
methyl 5-[(4-formylphenoxy)methyl]-2-furoate
CAS Number
332165-48-7
MDL Number
MFCD01893198

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2362747  LogD (pH = 7.4) 2.2362747 
Log P 2.2362747  Molar Refractivity 68.0115 cm3
Polarizability 25.674232 Å3 Polar Surface Area 65.74 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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