2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid
Basic information
- CAS
7507-60-0- Standard SMILES
Cc1cc(CCCC(CC(=O)O)C(=O)O)cc(C)c1C- InChIKey
QKOZXSDYSXVDQD-UHFFFAOYSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid
- IUPAC
- 2-[3-(3,4,5-trimethylphenyl)propyl]butanedioic acid
Names & synonyms
7507-60-02-[3-(3,4,5-trimethylphenyl)propyl]butanedioic acidNSC401508DTXSID00322552NSC-401508
Database identifiers
- CAS
7507-60-0- PubChem CID
- 344544
- DTXSID
DTXSID00322552
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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