Basic information
- CAS
76981-44-7- Standard SMILES
Cc1ccc(C(=O)c2cccc(OCC(=O)O)c2C)cc1- InChIKey
JUCDDJHFMCCIGK-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- Acetic acid, 2-(3-(p-methylbenzoyl)-o-tolyloxy)-
- IUPAC
- 2-[2-methyl-3-(4-methylbenzoyl)phenoxy]acetic acid
Names & synonyms
BRN 55684552-(3-(p-Methylbenzoyl)-o-tolyloxy)acetic acidACETIC ACID, 2-(3-(p-METHYLBENZOYL)-o-TOLYLOXY)-76981-44-7RefChem:316449DTXSID60998257[2-Methyl-3-(4-methylbenzoyl)phenoxy]acetic acid
Database identifiers
- CAS
76981-44-7- PubChem CID
- 53564
- DTXSID
DTXSID60998257- Nikkaji
- J86.247I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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