6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid

HCID 338946

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Basic information

CAS: 58185-91-4
Standard SMILES: COC1=C(OC)C(=O)C(C(=O)CCCCC(=O)O)=C(C)C1=O
InChIKey: NYCZXGXBAJEDRI-UHFFFAOYSA-N
Molecular formula: C15H18O7
Average molar mass: 310.3 g/mol
Monoisotopic mass: 310.10525291

Names & identifiers

Preferred name: 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid
IUPAC: 6-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-6-oxohexanoic acid

Names & synonyms

58185-91-4SNX7MWP9LK6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acidUNII-SNX7MWP9LKNSC 363802NSC-363802DTXSID702069111,4-CYCLOHEXADIENE-1-HEXANOIC ACID, 4,5-DIMETHOXY-2-METHYL-.EPSILON.,3,6-TRIOXO-4,5-DIMETHOXY-2-METHYL-.EPSILON.,3,6-TRIOXO-1,4-CYCLOHEXADIENE-1-HEXANOIC ACIDRefChem:104030DTXCID001294021,4-CYCLOHEXADIENE-1-HEXANOIC ACID, 4,5-DIMETHOXY-2-METHYL-EPSILON,3,6-TRIOXO-

Show more names

4,5-DIMETHOXY-2-METHYL-EPSILON,3,6-TRIOXO-1,4-CYCLOHEXADIENE-1-HEXANOIC ACIDNSC3638026-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-6-oxohexanoic acidSCHEMBL73242266-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-6-oxo-hexanoic acid

Database identifiers

CAS: 58185-91-4
PubChem CID: 338946
DTXSID: DTXSID70206911
UNII: SNX7MWP9LK

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 107 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 581

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