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3680-96-4 molecular structure
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5-(morpholin-4-yl)furan-2-carbaldehyde

ChemBase ID: 310499
Molecular Formular: C9H11NO3
Molecular Mass: 181.18854
Monoisotopic Mass: 181.07389322
SMILES and InChIs

SMILES:
c1(oc(cc1)C=O)N1CCOCC1
Canonical SMILES:
O=Cc1ccc(o1)N1CCOCC1
InChI:
InChI=1S/C9H11NO3/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2
InChIKey:
XPUSBRXFPCGEKP-UHFFFAOYSA-N

Cite this record

CBID:310499 http://www.chembase.cn/molecule-310499.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(morpholin-4-yl)furan-2-carbaldehyde
IUPAC Traditional name
5-(morpholin-4-yl)furan-2-carbaldehyde
Synonyms
5-morpholin-4-yl-2-furaldehyde
CAS Number
3680-96-4
MDL Number
MFCD02614963

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) 0.7248292  LogD (pH = 7.4) 0.7248292 
Log P 0.7248292  Molar Refractivity 47.7893 cm3
Polarizability 17.624691 Å3 Polar Surface Area 42.68 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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