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115956-04-2 | 9-Azabicyclo[3.3.1]nonane-9-acetic acid, 3-(ethoxycarbonyl)-7-hydroxy-, ethyl ester
CAS No: 115956-04-2 Catalog No: AG000H7Z MDL No:MFCD09743543
Product Description
Catalog Number:
AG000H7Z
Chemical Name:
9-Azabicyclo[3.3.1]nonane-9-acetic acid, 3-(ethoxycarbonyl)-7-hydroxy-, ethyl ester
CAS Number:
115956-04-2
Molecular Formula:
C15H25NO5
Molecular Weight:
299.3627
MDL Number:
MFCD09743543
IUPAC Name:
ethyl 9-(2-ethoxy-2-oxoethyl)-7-hydroxy-9-azabicyclo[3.3.1]nonane-3-carboxylate
InChI:
InChI=1S/C15H25NO5/c1-3-20-14(18)9-16-11-5-10(15(19)21-4-2)6-12(16)8-13(17)7-11/h10-13,17H,3-9H2,1-2H3
InChI Key:
WCDRGGYHUBTALP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1C2CC(CC1CC(C2)C(=O)OCC)O
EC Number:
601-400-3
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.367g/mol
Monoisotopic Mass:
299.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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