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Home > Other Heterocycles > 1203375-26-1
1203375-26-1 | 3-(8-Aza-bicyclo[3.2.1]oct-3-yl)-benzoic acid methyl ester
CAS No: 1203375-26-1 Catalog No: AG019GE7 MDL No:MFCD11047535
Product Description
Catalog Number:
AG019GE7
Chemical Name:
3-(8-Aza-bicyclo[3.2.1]oct-3-yl)-benzoic acid methyl ester
CAS Number:
1203375-26-1
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
MDL Number:
MFCD11047535
IUPAC Name:
methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)benzoate
InChI:
InChI=1S/C15H19NO2/c1-18-15(17)11-4-2-3-10(7-11)12-8-13-5-6-14(9-12)16-13/h2-4,7,12-14,16H,5-6,8-9H2,1H3
InChI Key:
NIOGYEYZJWSVBN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)C1C[C@@H]2CC[C@H](C1)N2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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