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915922-65-5 molecular structure
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N-(4-hydroxyphenyl)-5-methylfuran-2-carboxamide

ChemBase ID: 312117
Molecular Formular: C12H11NO3
Molecular Mass: 217.22064
Monoisotopic Mass: 217.07389322
SMILES and InChIs

SMILES:
c1(C(=O)Nc2ccc(cc2)O)oc(cc1)C
Canonical SMILES:
Oc1ccc(cc1)NC(=O)c1ccc(o1)C
InChI:
InChI=1S/C12H11NO3/c1-8-2-7-11(16-8)12(15)13-9-3-5-10(14)6-4-9/h2-7,14H,1H3,(H,13,15)
InChIKey:
UQMNRQHIORVLKD-UHFFFAOYSA-N

Cite this record

CBID:312117 http://www.chembase.cn/molecule-312117.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-hydroxyphenyl)-5-methylfuran-2-carboxamide
IUPAC Traditional name
N-(4-hydroxyphenyl)-5-methylfuran-2-carboxamide
Synonyms
N-(4-hydroxyphenyl)-5-methyl-2-furamide
CAS Number
915922-65-5
MDL Number
MFCD08691813

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) 2.02132  LogD (pH = 7.4) 2.0171647 
Log P 2.0213733  Molar Refractivity 61.113 cm3
Polarizability 22.194641 Å3 Polar Surface Area 62.47 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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