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Home > Other Heterocycles > 1781343-19-8
1781343-19-8 | tert-butyl N-{9-oxo-3-oxabicyclo[3.3.1]nonan-7-yl}carbamate
CAS No: 1781343-19-8 Catalog No: AG01B4DL MDL No:MFCD29919260
Product Description
Catalog Number:
AG01B4DL
Chemical Name:
tert-butyl N-{9-oxo-3-oxabicyclo[3.3.1]nonan-7-yl}carbamate
CAS Number:
1781343-19-8
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD29919260
IUPAC Name:
tert-butyl N-(9-oxo-3-oxabicyclo[3.3.1]nonan-7-yl)carbamate
InChI:
InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-10-4-8-6-17-7-9(5-10)11(8)15/h8-10H,4-7H2,1-3H3,(H,14,16)
InChI Key:
TVMTXDMYDNVSSR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC2COCC(C1)C2=O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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