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1419101-15-7 | 9-Azabicyclo[3.3.1]nonane-3,9-dicarboxylic acid, 7-oxo-, 9-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 1419101-15-7 Catalog No: AG001HCZ MDL No:MFCD28040378
Product Description
Catalog Number:
AG001HCZ
Chemical Name:
9-Azabicyclo[3.3.1]nonane-3,9-dicarboxylic acid, 7-oxo-, 9-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
1419101-15-7
Molecular Formula:
C16H25NO5
Molecular Weight:
311.3734
MDL Number:
MFCD28040378
IUPAC Name:
9-O-tert-butyl 3-O-ethyl 7-oxo-9-azabicyclo[3.3.1]nonane-3,9-dicarboxylate
InChI:
InChI=1S/C16H25NO5/c1-5-21-14(19)10-6-11-8-13(18)9-12(7-10)17(11)15(20)22-16(2,3)4/h10-12H,5-9H2,1-4H3
InChI Key:
KHUPXDHFHJDBPZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC2CC(=O)CC(C1)N2C(=O)OC(C)(C)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.378g/mol
Monoisotopic Mass:
311.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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