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6H,7H,8H-cyclohepta[b]pyridine-5,9-dione

6H,7H,8H-cyclohepta[b]pyridine-5,9-dione

CAS: 39713-40-1

Formula: C10H9NO2

SMILES: O=C1CCCC(=O)C2=NC=CC=C12

IUPAC: 5H,6H,7H,8H,9H-cyclohepta[b]pyridine-5,9-dione

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

Composition: C (68.56%), H (5.18%), N (8.00%), O (18.27%)

Molar Mass: 175.187

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 175.063328534
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey INMIEUQKQXVBKR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.19
Topological Polar Surface Area 47.03
Polarizability 18.03
Ring Count 2
Rotatable Bond Count 0

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