Basic information
- CAS
24716-09-4- Standard SMILES
CCCCC(C(=O)O)c1ccccc1- InChIKey
PGIOANNVJQQCDT-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- alpha-Butylbenzeneacetic acid
- IUPAC
- 2-phenylhexanoic acid
Names & synonyms
alpha-Butylbenzeneacetic acid24716-09-4RefChem:10764512-phenylhexanoic acidalpha-Butylphenylacetic acid(+-)-2-Phenylhexanoic acidBenzeneacetic acid, alpha-butyl-alpha-Phenylcaproic acidBRN 3200050HEXANOIC ACID, 2-PHENYL-phenylhexanoic acidSCHEMBL455432
Show more names
SCHEMBL10906759DTXSID90947652SBB077921AKOS005136970
Database identifiers
- CAS
24716-09-4- PubChem CID
- 32601
- DTXSID
DTXSID90947652- EC Number
- 188-831-6
- Nikkaji
- J745.066D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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