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156353-01-4 molecular structure
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N-methoxy-N-methyloxane-4-carboxamide

ChemBase ID: 799353
Molecular Formular: C8H15NO3
Molecular Mass: 173.2096
Monoisotopic Mass: 173.10519335
SMILES and InChIs

SMILES:
O1CCC(CC1)C(=O)N(C)OC
Canonical SMILES:
CON(C(=O)C1CCOCC1)C
InChI:
InChI=1S/C8H15NO3/c1-9(11-2)8(10)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3
InChIKey:
QURBKRFUFINPQC-UHFFFAOYSA-N

Cite this record

CBID:799353 http://www.chembase.cn/molecule-799353.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methoxy-N-methyloxane-4-carboxamide
IUPAC Traditional name
N-methoxy-N-methyloxane-4-carboxamide
Synonyms
N-methoxy-N-methyl-tetrahydro-2H-pyran-4-carboxamide
N-METHOXY-N-METHYLTETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE
CAS Number
156353-01-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.010827472  LogD (pH = 7.4) -0.010827472 
Log P -0.010827472  Molar Refractivity 44.3602 cm3
Polarizability 17.38404 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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