Basic information
- CAS
5023-43-8- Standard SMILES
COc1cc(CC(CC(=O)O)C(=O)O)cc(OC)c1OC- InChIKey
UYVZHLOKOMBTCM-UHFFFAOYSA-N- Molecular formula
- C14H18O7
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.10525291
Names & identifiers
- Preferred name
- 2-(3,4,5-Trimethoxybenzyl)butanedioic acid
- IUPAC
- 2-[(3,4,5-trimethoxyphenyl)methyl]butanedioic acid
Names & synonyms
2-(3,4,5-trimethoxybenzyl)butanedioic acid5023-43-8NSC539682-[(3,4,5-trimethoxyphenyl)methyl]butanedioic acidDTXSID50288058UYVZHLOKOMBTCM-UHFFFAOYSA-NN-(2,3,5-trichloro-4-hydroxy-phenyl)naphthalene-2-carboxamideNSC-53968DS-011512
Database identifiers
- CAS
5023-43-8、6938-49-4- PubChem CID
- 243797
- DTXSID
DTXSID50288058
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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