Basic information
- CAS
7470-99-7- Standard SMILES
COc1cc(C(=O)c2cc3c(cc2C(=O)O)OCO3)cc(OC)c1OC- InChIKey
NKIVYOORVNTNOY-UHFFFAOYSA-N- Molecular formula
- C18H16O8
- Average molar mass
- 360.3 g/mol
- Monoisotopic mass
- 360.08451746
Names & identifiers
- Preferred name
- 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid
- IUPAC
- 6-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxole-5-carboxylic acid
Names & synonyms
7470-99-7NSC403528DTXSID703232936-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acidNSC-403528
Database identifiers
- CAS
7470-99-7- PubChem CID
- 345758
- DTXSID
DTXSID70323293
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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