7-methoxy-1,6-dimethylisoquinoline-5,8-dione

CAS: 79664-58-7

Molecular Formula	`C12H11NO3`
Molecular Weight	217.22 g/mol
LogP	1.3
Topological Polar Surface Area	56.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	217.0739
Heavy Atoms	16
Complexity	372.0

Chemical Identifiers

CAS Number	79664-58-7
SMILES	`CC1=C(C(=O)C2=C(C1=O)C=CN=C2C)OC`
InChIKey	`CYEQNCOGYHCBOC-UHFFFAOYSA-N`

📖 Product Overview

7-methoxy-1,6-dimethylisoquinoline-5,8-dione (CAS: 79664-58-7) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.22 g/mol. Its IUPAC systematic name is 7-methoxy-1,6-dimethylisoquinoline-5,8-dione. LogP 1.3 Topological Polar Surface Area 56.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 217.0739 Heavy Atoms 16 Complexity 372.0 InChI Key: CYEQNCOGYHCBOC-UHFFFAOYSA-N. SMILES: CC1=C(C(=O)C2=C(C1=O)C=CN=C2C)OC.

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