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Home > Other Heterocycles > 2137629-61-7
2137629-61-7 | tert-butyl N-{3-oxo-7-oxaspiro[3.5]nonan-1-yl}carbamate
CAS No: 2137629-61-7 Catalog No: AG01EJW9 MDL No:MFCD31456763
Product Description
Catalog Number:
AG01EJW9
Chemical Name:
tert-butyl N-{3-oxo-7-oxaspiro[3.5]nonan-1-yl}carbamate
CAS Number:
2137629-61-7
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD31456763
IUPAC Name:
tert-butyl N-(3-oxo-7-oxaspiro[3.5]nonan-1-yl)carbamate
InChI:
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-9-8-10(15)13(9)4-6-17-7-5-13/h9H,4-8H2,1-3H3,(H,14,16)
InChI Key:
ULZYGKDKXVJDFH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC(=O)C21CCOCC2
Properties
Complexity:
353
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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