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141379-91-1 | 9-Azabicyclo[3.3.1]nonane-3-carboxylic acid, ethyl ester
CAS No: 141379-91-1 Catalog No: AG001GBY MDL No:
Product Description
Catalog Number:
AG001GBY
Chemical Name:
9-Azabicyclo[3.3.1]nonane-3-carboxylic acid, ethyl ester
CAS Number:
141379-91-1
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
ethyl 9-azabicyclo[3.3.1]nonane-3-carboxylate
InChI:
InChI=1S/C11H19NO2/c1-2-14-11(13)8-6-9-4-3-5-10(7-8)12-9/h8-10,12H,2-7H2,1H3
InChI Key:
DETHQVZHERPHHS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC2CCCC(C1)N2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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