Basic information
- CAS
2879-80-3- Standard SMILES
CCCCCc1cc(O)c(OC(=O)c2c(CCC)cc(OC)cc2OC)c(O)c1C(=O)O- InChIKey
AAKHGLJWUOZNTQ-UHFFFAOYSA-N- Molecular formula
- C24H30O8
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.19406791
Overview
Merochlorophaeic acid is a carbonyl compound.
Names & identifiers
- Preferred name
- Merochlorophaeic acid
- IUPAC
- 3-(2,4-dimethoxy-6-propylbenzoyl)oxy-2,4-dihydroxy-6-pentylbenzoic acid
- English name
- 3-[(2,4-Dimethoxy-6-propylbenzoyl)oxy]-2,4-dihydroxy-6-pentylbenzoic acid
- Molecular formula
- C24H30O8
- Molecular weight
- 0
Names & synonyms
Merochlorophaeic acidRefChem:1566202879-80-3CHEBI:144270DTXSID001336850Merochloropheic acid2,4-Dihydroxy-3-(2,4-dimethoxy-6-propylbenzoyloxy)-6-pentylbenzoic acid3-[(2,4-Dimethoxy-6-propylbenzoyl)oxy]-2,4-dihydroxy-6-pentylbenzoic acid
Database identifiers
- CAS
2879-80-3- PubChem CID
- 71436664
- DTXSID
DTXSID001336850- ChEBI
CHEBI:144270- Nikkaji
- J13.746D
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 597
Chemistry & industry
Additional notes
DefinitionChEBI: Merochlorophaeic acid is a carbonyl compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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