Basic information
- CAS
151029-29-7- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(C=O)cc1- InChIKey
DSTQLLFFZIANJD-UHFFFAOYSA-N- Molecular formula
- C26H42O3
- Average molar mass
- 402.6 g/mol
- Monoisotopic mass
- 402.3133952
Names & identifiers
- Preferred name
- Octadecyl 4-formylbenzoate
- IUPAC
- octadecyl 4-formylbenzoate
- English name
- ETH 5444
- Molecular formula
- C26H42O3
- Molecular weight
- 402.61
Names & synonyms
Octadecyl 4-formylbenzoate151029-29-7Hydrogen sulfite ionophore IBenzoic acid, 4-formyl-, octadecyl esterSCHEMBL7721712DTXSID00394057DSTQLLFFZIANJD-UHFFFAOYSA-NHydrogen sulfite ionophore I, Selectophore(TM)Octadecyl 4-formylbenzoate, Hydrogen sulfite ionophore I, ETH 5444, 151029-29-7, AC1MTHQF, 54110_FLUKA, CTK8E7827ETH 5444ETH 5444, Octadecyl 4-formylbenzoate
Database identifiers
- CAS
151029-29-7- PubChem CID
- 3602245
- DTXSID
DTXSID00394057- Nikkaji
- J569.886C
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 20
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- BRN
- 6637746 · 6637746
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
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
- F
- 10-23
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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