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1251010-45-3 | 3-Oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1251010-45-3 Catalog No: AG000N6O MDL No:MFCD17017630
Product Description
Catalog Number:
AG000N6O
Chemical Name:
3-Oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1251010-45-3
Molecular Formula:
C11H20N2O3
Molecular Weight:
228.2881
MDL Number:
MFCD17017630
IUPAC Name:
tert-butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate
InChI:
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-8-4-12-5-9(13)7-15-6-8/h8-9,12H,4-7H2,1-3H3
InChI Key:
ONCXRAVDLYHIJE-UHFFFAOYSA-N
SMILES:
O=C(N1C2CNCC1COC2)OC(C)(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.292g/mol
Monoisotopic Mass:
228.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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