4-Butoxy-3,5-dimethoxybenzoic acid
Basic information
- CAS
1147-84-8- Standard SMILES
CCCCOc1c(OC)cc(C(=O)O)cc1OC- InChIKey
OVEWGFZLBASBNE-UHFFFAOYSA-N- Molecular formula
- C13H18O5
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.11542367
Names & identifiers
- Preferred name
- 4-Butoxy-3,5-dimethoxybenzoic acid
- IUPAC
- 4-butoxy-3,5-dimethoxybenzoic acid
Names & synonyms
1147-84-84-BUTOXY-3,5-DIMETHOXYBENZOIC ACID4-butyloxy-3,5-dimethoxybenzoic acidBenzoic acid, 4-butoxy-3,5-dimethoxy-SCHEMBL5026091DTXSID10440059OVEWGFZLBASBNE-UHFFFAOYSA-NBAA14784MFCD120742474-n-butoxy-3,5-dimethoxybenzoic acidEN300-14472554Z425843772
Database identifiers
- CAS
1147-84-8- PubChem CID
- 10445014
- DTXSID
DTXSID10440059
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Related reactions
8 records
Compound notes
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