Acetic acid, (4-butoxy-m-tolyl)-
Basic information
- CAS
4547-59-5- Standard SMILES
CCCCOc1ccc(CC(=O)O)cc1C- InChIKey
BRBTWQMWSVOGOW-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Acetic acid, (4-butoxy-m-tolyl)-
- IUPAC
- 2-(4-butoxy-3-methylphenyl)acetic acid
Names & synonyms
ACETIC ACID, (4-BUTOXY-m-TOLYL)-(p-Butoxy)-m-tolylacetic acidBRN 26507584547-59-5DTXSID70196520RefChem:316252DTXCID10119011(4-Butoxy-3-methylphenyl)acetic acid
Database identifiers
- CAS
4547-59-5- PubChem CID
- 20675
- DTXSID
DTXSID70196520- Nikkaji
- J54.185K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
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Compound notes
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