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163513-98-2 | 7-Azabicyclo[2.2.1]heptane-7-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester, (1R,4S)-
CAS No: 163513-98-2 Catalog No: AG001U6A MDL No:MFCD13152251
Product Description
Catalog Number:
AG001U6A
Chemical Name:
7-Azabicyclo[2.2.1]heptane-7-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester, (1R,4S)-
CAS Number:
163513-98-2
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
MDL Number:
MFCD13152251
IUPAC Name:
tert-butyl (1R,4S)-2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate
InChI:
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-7-4-5-8(12)9(13)6-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChI Key:
XWIJVOQGKJHEAJ-JGVFFNPUSA-N
SMILES:
O=C(N1[C@H]2CC[C@@H]1C(=O)C2)OC(C)(C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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