Home Carboxys ethyl 7-oxo-5H,6H,7H-cyclopenta[c]pyridine-6-carboxylate

ethyl 7-oxo-5H,6H,7H-cyclopenta[c]pyridine-6-carboxylate

CAS No.:
52402-36-5
Catalog Number:
AG01BCG6
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
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Product Description
Catalog Number:
AG01BCG6
Chemical Name:
ethyl 7-oxo-5H,6H,7H-cyclopenta[c]pyridine-6-carboxylate
CAS Number:
52402-36-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD22200729
IUPAC Name:
ethyl 7-oxo-5,6-dihydrocyclopenta[c]pyridine-6-carboxylate
InChI:
InChI=1S/C11H11NO3/c1-2-15-11(14)8-5-7-3-4-12-6-9(7)10(8)13/h3-4,6,8H,2,5H2,1H3
InChI Key:
IACDWQJNTQIURN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1Cc2c(C1=O)cncc2
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties