7-Acetoxy-6-allyl-8-methoxycoumarin

HCID 21814501

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5307-54-0
Standard SMILES: C=CCc1cc2ccc(=O)oc2c(OC)c1OC(C)=O
InChIKey: LGOQEBIXXUMRQH-UHFFFAOYSA-N
Molecular formula: C15H14O5
Average molar mass: 274.27 g/mol
Monoisotopic mass: 274.08412355

Names & identifiers

Preferred name: 7-Acetoxy-6-allyl-8-methoxycoumarin
IUPAC: (8-methoxy-2-oxo-6-prop-2-enylchromen-7-yl) acetate

Names & synonyms

7-acetoxy-6-allyl-8-methoxycoumarin5307-54-0SCHEMBL11555824DTXSID70618338LGOQEBIXXUMRQH-UHFFFAOYSA-N8-Methoxy-2-oxo-6-(prop-2-en-1-yl)-2H-1-benzopyran-7-yl acetate

Database identifiers

CAS: 5307-54-0
PubChem CID: 21814501
DTXSID: DTXSID70618338

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 428

Related reactions

6 records

New reaction record

HRID 66072As productuspto-grants-1978_12

HRID 66073As reactantuspto-grants-1978_12

HRID 173077As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 289462As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1448514As productuspto-grants-1979_12

HRID 1448515As reactantuspto-grants-1979_12

Compound notes

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