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Home > Other Heterocycles > 1342122-46-6
1342122-46-6 | methyl 3-{3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl}butanoate
CAS No: 1342122-46-6 Catalog No: AG01A2GY MDL No:MFCD18883292
Product Description
Catalog Number:
AG01A2GY
Chemical Name:
methyl 3-{3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl}butanoate
CAS Number:
1342122-46-6
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD18883292
IUPAC Name:
methyl 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanoate
InChI:
InChI=1S/C12H21NO3/c1-8(5-12(15)16-2)13-9-3-4-10(13)7-11(14)6-9/h8-11,14H,3-7H2,1-2H3
InChI Key:
ZHTRQBQOFXTKEL-UHFFFAOYSA-N
SMILES:
COC(=O)CC(N1C2CCC1CC(C2)O)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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