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425645-31-4 molecular structure
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5-(4-methyl-2-nitrophenyl)furan-2-carbaldehyde

ChemBase ID: 311500
Molecular Formular: C12H9NO4
Molecular Mass: 231.20416
Monoisotopic Mass: 231.05315777
SMILES and InChIs

SMILES:
[N+](=O)(c1c(c2oc(cc2)C=O)ccc(c1)C)[O-]
Canonical SMILES:
O=Cc1ccc(o1)c1ccc(cc1[N+](=O)[O-])C
InChI:
InChI=1S/C12H9NO4/c1-8-2-4-10(11(6-8)13(15)16)12-5-3-9(7-14)17-12/h2-7H,1H3
InChIKey:
UAAULAKHYRANRB-UHFFFAOYSA-N

Cite this record

CBID:311500 http://www.chembase.cn/molecule-311500.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-methyl-2-nitrophenyl)furan-2-carbaldehyde
IUPAC Traditional name
5-(4-methyl-2-nitrophenyl)furan-2-carbaldehyde
Synonyms
5-(4-methyl-2-nitrophenyl)-2-furaldehyde
CAS Number
425645-31-4
MDL Number
MFCD02221168

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7666268  LogD (pH = 7.4) 2.7666268 
Log P 2.7666268  Molar Refractivity 61.4083 cm3
Polarizability 23.686333 Å3 Polar Surface Area 73.35 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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