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Home > Other Heterocycles > 87935-31-7
87935-31-7 | Pentanedioic acid, 2-(3-oxo-8-azabicyclo[3.2.1]oct-8-yl)-, diethyl ester
CAS No: 87935-31-7 Catalog No: AG004DNF MDL No:
Product Description
Catalog Number:
AG004DNF
Chemical Name:
Pentanedioic acid, 2-(3-oxo-8-azabicyclo[3.2.1]oct-8-yl)-, diethyl ester
CAS Number:
87935-31-7
Molecular Formula:
C16H25NO5
Molecular Weight:
311.3734
IUPAC Name:
diethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)pentanedioate
InChI:
InChI=1S/C16H25NO5/c1-3-21-15(19)8-7-14(16(20)22-4-2)17-11-5-6-12(17)10-13(18)9-11/h11-12,14H,3-10H2,1-2H3
InChI Key:
ZPTYCNZRXMVFRW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(N1C2CCC1CC(=O)C2)CCC(=O)OCC
Properties
Complexity:
420
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:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.378g/mol
Monoisotopic Mass:
311.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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