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13365-62-3 molecular structure
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2-(4-methylbenzoyl)furan

ChemBase ID: 311663
Molecular Formular: C12H10O2
Molecular Mass: 186.2066
Monoisotopic Mass: 186.06807956
SMILES and InChIs

SMILES:
c1(C(=O)c2ccc(cc2)C)occc1
Canonical SMILES:
Cc1ccc(cc1)C(=O)c1ccco1
InChI:
InChI=1S/C12H10O2/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8H,1H3
InChIKey:
CCZNSSWUBXNIPL-UHFFFAOYSA-N

Cite this record

CBID:311663 http://www.chembase.cn/molecule-311663.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methylbenzoyl)furan
IUPAC Traditional name
2-(4-methylbenzoyl)furan
Synonyms
2-furyl(4-methylphenyl)methanone
CAS Number
13365-62-3
MDL Number
MFCD08691769

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) 3.0062668  LogD (pH = 7.4) 3.0062668 
Log P 3.0062668  Molar Refractivity 54.0656 cm3
Polarizability 20.608868 Å3 Polar Surface Area 30.21 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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