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1224194-63-1 | 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-acetyl-, 1,1-dimethylethyl ester
CAS No: 1224194-63-1 Catalog No: AG00177Q MDL No:
Product Description
Catalog Number:
AG00177Q
Chemical Name:
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-acetyl-, 1,1-dimethylethyl ester
CAS Number:
1224194-63-1
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
IUPAC Name:
tert-butyl 3-acetyl-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI:
InChI=1S/C14H23NO3/c1-9(16)10-7-11-5-6-12(8-10)15(11)13(17)18-14(2,3)4/h10-12H,5-8H2,1-4H3
InChI Key:
AGUSULPTVXBJJF-UHFFFAOYSA-N
SMILES:
CC(=O)C1CC2CCC(C1)N2C(=O)OC(C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.342g/mol
Monoisotopic Mass:
253.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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