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1626482-00-5 | Bicyclo[2.2.2]octane-2-carboxylic acid, 3-amino-, ethyl ester, (2S,3S)-
CAS No: 1626482-00-5 Catalog No: AG001T9T MDL No:
Product Description
Catalog Number:
AG001T9T
Chemical Name:
Bicyclo[2.2.2]octane-2-carboxylic acid, 3-amino-, ethyl ester, (2S,3S)-
CAS Number:
1626482-00-5
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
ethyl (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylate
InChI:
InChI=1S/C11H19NO2/c1-2-14-11(13)9-7-3-5-8(6-4-7)10(9)12/h7-10H,2-6,12H2,1H3/t7?,8?,9-,10-/m0/s1
InChI Key:
CFRDVZHAVFJIFL-QLEHZGMVSA-N
SMILES:
CCOC(=O)[C@H]1C2CCC([C@@H]1N)CC2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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