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82625-44-3 molecular structure
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3-[3-(morpholin-4-yl)propoxy]benzaldehyde

ChemBase ID: 312036
Molecular Formular: C14H19NO3
Molecular Mass: 249.30556
Monoisotopic Mass: 249.13649347
SMILES and InChIs

SMILES:
N1(CCCOc2cc(C=O)ccc2)CCOCC1
Canonical SMILES:
O=Cc1cccc(c1)OCCCN1CCOCC1
InChI:
InChI=1S/C14H19NO3/c16-12-13-3-1-4-14(11-13)18-8-2-5-15-6-9-17-10-7-15/h1,3-4,11-12H,2,5-10H2
InChIKey:
REBMYEPAUNCQQR-UHFFFAOYSA-N

Cite this record

CBID:312036 http://www.chembase.cn/molecule-312036.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[3-(morpholin-4-yl)propoxy]benzaldehyde
IUPAC Traditional name
3-[3-(morpholin-4-yl)propoxy]benzaldehyde
Synonyms
3-[3-(4-morpholinyl)propoxy]benzaldehyde
CAS Number
82625-44-3
MDL Number
MFCD08691791

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) 0.53322786  LogD (pH = 7.4) 1.35568 
Log P 1.3881807  Molar Refractivity 71.0642 cm3
Polarizability 27.278921 Å3 Polar Surface Area 38.77 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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