ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylate

CAS: 56611-65-5

Molecular Formula	`C14H16N2O4`
Molecular Weight	276.29 g/mol
LogP	1.3
Topological Polar Surface Area	88.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	276.111
Heavy Atoms	20
Complexity	435.0

Chemical Identifiers

CAS Number	56611-65-5
SMILES	`CCOC(=O)C1=C(C2=C(C=C1C)C(=NNC2=O)CO)C`
InChIKey	`DUQOOLBWGUKRAJ-UHFFFAOYSA-N`

📖 Product Overview

ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylate (CAS: 56611-65-5) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.29 g/mol. Its IUPAC systematic name is ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylate. LogP 1.3 Topological Polar Surface Area 88.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 276.111 Heavy Atoms 20 Complexity 435.0 InChI Key: DUQOOLBWGUKRAJ-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(C2=C(C=C1C)C(=NNC2=O)CO)C.

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