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1251007-45-0 | 2,7-Diazabicyclo[4.2.0]octane-2-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1251007-45-0 Catalog No: AG000N5L MDL No:MFCD14581310
Product Description
Catalog Number:
AG000N5L
Chemical Name:
2,7-Diazabicyclo[4.2.0]octane-2-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1251007-45-0
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.2887
MDL Number:
MFCD14581310
IUPAC Name:
tert-butyl 2,7-diazabicyclo[4.2.0]octane-2-carboxylate
InChI:
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-4-5-8-9(13)7-12-8/h8-9,12H,4-7H2,1-3H3
InChI Key:
KQJIICGAXIAFIA-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2C1CN2)OC(C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.293g/mol
Monoisotopic Mass:
212.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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