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Home > Other Heterocycles > 1252672-84-6
1252672-84-6 | tert-butylN-{4-hydroxybicyclo[2.2.2]octan-1-yl}carbamate
CAS No: 1252672-84-6 Catalog No: AG00ILBI MDL No:MFCD28403233
Product Description
Catalog Number:
AG00ILBI
Chemical Name:
tert-butylN-{4-hydroxybicyclo[2.2.2]octan-1-yl}carbamate
CAS Number:
1252672-84-6
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD28403233
IUPAC Name:
tert-butyl N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)carbamate
InChI:
InChI=1S/C13H23NO3/c1-11(2,3)17-10(15)14-12-4-7-13(16,8-5-12)9-6-12/h16H,4-9H2,1-3H3,(H,14,15)
InChI Key:
MSWXCWNGGPGPDD-UHFFFAOYSA-N
SMILES:
O=C(NC12CCC(CC1)(CC2)O)OC(C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.331g/mol
Monoisotopic Mass:
241.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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