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Home > Other Heterocycles > 1784627-63-9
1784627-63-9 | tert-butyl N-{6-oxospiro[2.5]octan-1-yl}carbamate
CAS No: 1784627-63-9 Catalog No: AG01C7C9 MDL No:MFCD28534772
Product Description
Catalog Number:
AG01C7C9
Chemical Name:
tert-butyl N-{6-oxospiro[2.5]octan-1-yl}carbamate
CAS Number:
1784627-63-9
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD28534772
IUPAC Name:
tert-butyl N-(6-oxospiro[2.5]octan-2-yl)carbamate
InChI:
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-10-8-13(10)6-4-9(15)5-7-13/h10H,4-8H2,1-3H3,(H,14,16)
InChI Key:
KJKFDUASZGJGCD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC21CCC(=O)CC2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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