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119103-11-6 | 1-Azabicyclo[3.3.1]nonane-5-carboxylic acid
CAS No: 119103-11-6 Catalog No: AG000I6Z MDL No:
Product Description
Catalog Number:
AG000I6Z
Chemical Name:
1-Azabicyclo[3.3.1]nonane-5-carboxylic acid
CAS Number:
119103-11-6
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
1-azabicyclo[3.3.1]nonane-5-carboxylic acid
InChI:
InChI=1S/C9H15NO2/c11-8(12)9-3-1-5-10(7-9)6-2-4-9/h1-7H2,(H,11,12)
InChI Key:
PVPLABKMWLPCSG-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCCN(C2)CCC1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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