2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid structure

2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid

2,6-dimethyl-4-oxopyran-3-carboxylic acid

Also Known As: 2,6-dimethyl-4-oxo-4H-pyran-3-carboxylic acid|2,6-dimethyl-4-oxopyran-3-carboxylic acid|KS-00001ZAM|2,6-Dimethyl-4-pyrone-3-carboxylic acid|3-carboxy-2,6-dimethylpyr-4-one|4H-Pyran-3-carboxylic acid, 2,6-dimethyl-4-oxo-|2,6-dimethyl-4-oxo-pyran-3-carboxylic acid|5-18-08-00154 (Beilstein Handbook Reference)|J1.401.798D|2,6-dimethyl-4-oxo-4H-pyran-3-carboxylicacid|7H-938

CAS: 3265-58-5
Molecular Formula C8H8O4
Molecular Weight 168.04225 g/mol
LogP 1.2
Topological Polar Surface Area 63.6 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 1
Exact Mass 168.04225
Monoisotopic Mass 168.04225
Heavy Atoms 12
Complexity 309.0

Chemical Identifiers

CAS Number 3265-58-5
SMILES CC1=CC(=O)C(=C(O1)C)C(=O)O
InChIKey MZMRFDKQPOMOGX-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (10 patents) Heterocyclic Building Blocks (25 patents) Pharmaceutical Intermediates (6 patents)

Product Overview

2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid (CAS 3265-58-5), with molecular formula C8H8O4 and molecular weight 168.04225 g/mol. IUPAC: 2,6-dimethyl-4-oxopyran-3-carboxylic acid.

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