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71017-44-2 | 2-Azabicyclo[3.2.1]octane-2-carboxylicacid, methyl ester
CAS No: 71017-44-2 Catalog No: AG005F4Q MDL No:
Product Description
Catalog Number:
AG005F4Q
Chemical Name:
2-Azabicyclo[3.2.1]octane-2-carboxylicacid, methyl ester
CAS Number:
71017-44-2
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
methyl 2-azabicyclo[3.2.1]octane-2-carboxylate
InChI:
InChI=1S/C9H15NO2/c1-12-9(11)10-5-4-7-2-3-8(10)6-7/h7-8H,2-6H2,1H3
InChI Key:
FURCFADBKVRCCW-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCC2CC1CC2
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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