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Home > Other Heterocycles > 1781342-95-7
1781342-95-7 | tert-butyl N-{9-oxobicyclo[3.3.1]nonan-3-yl}carbamate
CAS No: 1781342-95-7 Catalog No: AG01BC4T MDL No:MFCD28714709
Product Description
Catalog Number:
AG01BC4T
Chemical Name:
tert-butyl N-{9-oxobicyclo[3.3.1]nonan-3-yl}carbamate
CAS Number:
1781342-95-7
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
MDL Number:
MFCD28714709
IUPAC Name:
tert-butyl N-(9-oxo-3-bicyclo[3.3.1]nonanyl)carbamate
InChI:
InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-11-7-9-5-4-6-10(8-11)12(9)16/h9-11H,4-8H2,1-3H3,(H,15,17)
InChI Key:
MHGWZMBGGLQNFX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC2CCCC(C1)C2=O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.342g/mol
Monoisotopic Mass:
253.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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