2-Oxo-3-[1-(3,4,5-trimethoxyphenyl)ethyl]butanedioic acid
Basic information
- CAS
7466-18-4- Standard SMILES
COc1cc(C(C)C(C(=O)O)C(=O)C(=O)O)cc(OC)c1OC- InChIKey
DLBCTFGHLRLHQU-UHFFFAOYSA-N- Molecular formula
- C15H18O8
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.10016753
Names & identifiers
- Preferred name
- 2-Oxo-3-[1-(3,4,5-trimethoxyphenyl)ethyl]butanedioic acid
- IUPAC
- 2-oxo-3-[1-(3,4,5-trimethoxyphenyl)ethyl]butanedioic acid
Names & synonyms
7466-18-42-oxo-3-[1-(3,4,5-trimethoxyphenyl)ethyl]butanedioic acidNSC402550DTXSID30322969NSC-4025502-oxo-3-(1-(3,5-trimethoxyphenyl)ethyl)succinic acid
Database identifiers
- CAS
7466-18-4- PubChem CID
- 345153
- DTXSID
DTXSID30322969
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
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Compound notes
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