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Home > Other Heterocycles > 1439896-66-8
1439896-66-8 | tert-Butyl N-{6-oxaspiro[2.5]octan-1-yl}carbamate
CAS No: 1439896-66-8 Catalog No: AG01F9AM MDL No:
Product Description
Catalog Number:
AG01F9AM
Chemical Name:
tert-Butyl N-{6-oxaspiro[2.5]octan-1-yl}carbamate
CAS Number:
1439896-66-8
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
IUPAC Name:
tert-butyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate
InChI:
InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-9-8-12(9)4-6-15-7-5-12/h9H,4-8H2,1-3H3,(H,13,14)
InChI Key:
IKKMVYIICQQNHL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC21CCOCC2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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