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382167-57-9 molecular structure
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2-methyl-5-phenylfuran-3-carbonitrile

ChemBase ID: 308252
Molecular Formular: C12H9NO
Molecular Mass: 183.20596
Monoisotopic Mass: 183.06841391
SMILES and InChIs

SMILES:
c1(cc(oc1C)c1ccccc1)C#N
Canonical SMILES:
N#Cc1cc(oc1C)c1ccccc1
InChI:
InChI=1S/C12H9NO/c1-9-11(8-13)7-12(14-9)10-5-3-2-4-6-10/h2-7H,1H3
InChIKey:
NNQFNQXAGPIWAQ-UHFFFAOYSA-N

Cite this record

CBID:308252 http://www.chembase.cn/molecule-308252.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-5-phenylfuran-3-carbonitrile
IUPAC Traditional name
2-methyl-5-phenylfuran-3-carbonitrile
Synonyms
2-methyl-5-phenyl-3-furonitrile
CAS Number
382167-57-9
MDL Number
MFCD00462874

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7363753  LogD (pH = 7.4) 2.7363753 
Log P 2.7363753  Molar Refractivity 54.4564 cm3
Polarizability 21.784483 Å3 Polar Surface Area 36.93 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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