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1223573-41-8 molecular structure
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tert-butyl 1-oxa-6-azaspiro[3.3]heptane-6-carboxylate

ChemBase ID: 61709
Molecular Formular: C10H17NO3
Molecular Mass: 199.24688
Monoisotopic Mass: 199.12084341
SMILES and InChIs

SMILES:
O1CCC21CN(C2)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CC2(C1)CCO2)OC(C)(C)C
InChI:
InChI=1S/C10H17NO3/c1-9(2,3)14-8(12)11-6-10(7-11)4-5-13-10/h4-7H2,1-3H3
InChIKey:
QOXFRPSIASGKGE-UHFFFAOYSA-N

Cite this record

CBID:61709 http://www.chembase.cn/molecule-61709.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 1-oxa-6-azaspiro[3.3]heptane-6-carboxylate
IUPAC Traditional name
tert-butyl 1-oxa-6-azaspiro[3.3]heptane-6-carboxylate
Synonyms
1-Oxa-6-azaspiro[3.3]heptane-6-carboxylic acid tert-butyl ester
CAS Number
1223573-41-8
MDL Number
MFCD16877674
PubChem SID
162027450
PubChem CID
54758968

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 54758968 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7437847  LogD (pH = 7.4) 0.7437847 
Log P 0.7437847  Molar Refractivity 51.2192 cm3
Polarizability 20.328562 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
MSDS Link
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TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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