Benzoic acid, 2-(4-dodecylbenzoyl)-
Basic information
- CAS
59581-76-9- Standard SMILES
CCCCCCCCCCCCc1ccc(C(=O)c2ccccc2C(=O)O)cc1- InChIKey
UVZVUCQBMKTREQ-UHFFFAOYSA-N- Molecular formula
- C26H34O3
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.25079494
Names & identifiers
- Preferred name
- Benzoic acid, 2-(4-dodecylbenzoyl)-
- IUPAC
- 2-(4-dodecylbenzoyl)benzoic acid
- English name
- 2-(4-Dodecylbenzoyl)benzoic acid
- Molecular formula
- C26H34O3
- Molecular weight
- 394.55
Names & synonyms
Benzoic acid, 2-(4-dodecylbenzoyl)-59581-76-9DTXSID5069336RefChem:565424DTXCID20426402-(4-dodecylbenzoyl)benzoic acidSCHEMBL918747DB-323316
Database identifiers
- CAS
59581-76-9- PubChem CID
- 101084
- DTXSID
DTXSID5069336- Nikkaji
- J429.392D
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzoic acid, 2-(4-dodecylbenzoyl)- (59581-76-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-(4-dodecylbenzoyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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