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16803-07-9 molecular structure
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1,4-dioxa-8-azaspiro[4.6]undecane

ChemBase ID: 309176
Molecular Formular: C8H15NO2
Molecular Mass: 157.2102
Monoisotopic Mass: 157.11027873
SMILES and InChIs

SMILES:
C12(OCCO1)CCNCCC2
Canonical SMILES:
N1CCCC2(CC1)OCCO2
InChI:
InChI=1S/C8H15NO2/c1-2-8(3-5-9-4-1)10-6-7-11-8/h9H,1-7H2
InChIKey:
FBZXTZIKSOUPGL-UHFFFAOYSA-N

Cite this record

CBID:309176 http://www.chembase.cn/molecule-309176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-dioxa-8-azaspiro[4.6]undecane
IUPAC Traditional name
1,4-dioxa-8-azaspiro[4.6]undecane
Synonyms
1,4-dioxa-8-azaspiro[4.6]undecane
CAS Number
16803-07-9
MDL Number
MFCD11870222

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4037749 external link Add to cart
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) -2.6778572  LogD (pH = 7.4) -2.115908 
Log P 0.54922974  Molar Refractivity 41.7598 cm3
Polarizability 16.927067 Å3 Polar Surface Area 30.49 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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