Basic information
- CAS
52244-81-2- Standard SMILES
CCCCCCCCCCCCCCCCOc1ccc(C(=O)CC(=O)OC)cc1- InChIKey
HQLVFFFDPGVGHG-UHFFFAOYSA-N- Molecular formula
- C26H42O4
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.30830982
Names & identifiers
- Preferred name
- Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate
- IUPAC
- methyl 3-(4-hexadecoxyphenyl)-3-oxopropanoate
- English name
- methyl 3-[p-(hexadecyloxy)phenyl]-3-oxopropionate
- Molecular formula
- C26H42O4
- Molecular weight
- 418.61
Names & synonyms
52244-81-2Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionatemethyl 3-[4-(hexadecyloxy)phenyl]-3-oxopropanoateEINECS 257-783-9NSC151165CHEMBL3273752DTXSID20200287HQLVFFFDPGVGHG-UHFFFAOYSA-NAKOS024430200NSC 151165NSC-151165METHYL 4-(HEXADECYLOXY)BENZOYLACETATE
Show more names
methyl 3-(4-hexadecoxyphenyl)-3-oxopropanoatemethyl 3-[p-(hexadecyloxy)phenyl]-3-oxopropionate4-Hexadecyloxy-β-oxobenzenepropionic acid methyl esterBenzenepropanoic acid, 4-(hexadecyloxy)-β-oxo-, methyl ester
NS00032466
Database identifiers
- CAS
52244-81-2- PubChem CID
- 98593
- DTXSID
DTXSID20200287- ChEMBL
CHEMBL3273752- EC Number
- 257-783-9
- Nikkaji
- J295.622E
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 427
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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