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Home > Other Heterocycles > 2059971-53-6
2059971-53-6 | tert-butyl N-{3-oxaspiro[bicyclo[5.1.0]octane-4,1'-cyclohexane]-4'-yl}carbamate
CAS No: 2059971-53-6 Catalog No: AG01BZOL MDL No:MFCD30488785
Product Description
Catalog Number:
AG01BZOL
Chemical Name:
tert-butyl N-{3-oxaspiro[bicyclo[5.1.0]octane-4,1'-cyclohexane]-4'-yl}carbamate
CAS Number:
2059971-53-6
Molecular Formula:
C17H29NO3
Molecular Weight:
295.4171
MDL Number:
MFCD30488785
IUPAC Name:
tert-butyl N-spiro[3-oxabicyclo[5.1.0]octane-4,4'-cyclohexane]-1'-ylcarbamate
InChI:
InChI=1S/C17H29NO3/c1-16(2,3)21-15(19)18-14-5-8-17(9-6-14)7-4-12-10-13(12)11-20-17/h12-14H,4-11H2,1-3H3,(H,18,19)
InChI Key:
MSUAWOFPOITNML-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCC2(CC1)CCC1C(CO2)C1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.215g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.423g/mol
Monoisotopic Mass:
295.215g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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