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Also known as: 39713-40-1, 7,8-dihydro-6h-cyclohepta[b]pyridine-5,9-dione, 5h,6h,7h,8h,9h-cyclohepta[b]pyridine-5,9-dione, Schembl829095, Dtxsid10704385, Mfcd16293377
Molecular Formula
C10H9NO2
Molecular Weight
175.18  g/mol
InChI Key
INMIEUQKQXVBKR-UHFFFAOYSA-N

39713-40-1
1 2D Structure

39713-40-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7,8-dihydro-6H-cyclohepta[b]pyridine-5,9-dione
2.1.2 InChI
InChI=1S/C10H9NO2/c12-8-4-1-5-9(13)10-7(8)3-2-6-11-10/h2-3,6H,1,4-5H2
2.1.3 InChI Key
INMIEUQKQXVBKR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(=O)C2=C(C(=O)C1)N=CC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 39713-40-1

2. 7,8-dihydro-6h-cyclohepta[b]pyridine-5,9-dione

3. 5h,6h,7h,8h,9h-cyclohepta[b]pyridine-5,9-dione

4. Schembl829095

5. Dtxsid10704385

6. Mfcd16293377

7. Akos015924408

8. As-68606

9. Cs-0010811

10. I11706

11. 2-amino-4-chloro-5-methylbenzenesulfonylchloride

12. En300-1265738

13. 7,8-dihydro-6h-cyclohepta[b]-pyridine-5,9-dione

14. F1967-1763

15. Z1255429539

2.3 Create Date
2011-11-16
3 Chemical and Physical Properties
Molecular Weight 175.18 g/mol
Molecular Formula C10H9NO2
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area47
Heavy Atom Count13
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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