Basic information
- CAS
71888-90-9- Standard SMILES
CC[C@H](C)CCOC(=O)c1ccccc1C(=O)O- InChIKey
HFVPVWMVRZNFOP-JTQLQIEISA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid
- IUPAC
- 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid
Database identifiers
- CAS
71888-90-9- PubChem CID
- 3085652
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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