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Basic information
- CAS
5445-86-3- Standard SMILES
COc1ccc(C(=O)Oc2ccccc2C(C)=O)cc1- InChIKey
KPHKQJNWBUZGCV-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 2-Acetylphenyl p-anisate
- IUPAC
- (2-acetylphenyl) 4-methoxybenzoate
- English name
- 2-acetylphenyl p-anisate
- Molecular formula
- C16H14O4
- Molecular weight
- 270.27996
Names & synonyms
2-acetylphenyl 4-methoxybenzoate5445-86-32-Acetylphenyl p-anisateBenzoic acid, 4-methoxy-, 2-acetylphenyl esterN1WO3Y4M54EINECS 226-655-4NSC 22359NSC-22359UNII-N1WO3Y4M54DTXSID7063893P-ANISIC ACID, ESTER WITH 2'-HYDROXYACETOPHENONERefChem:85003
Show more names
4-Methoxybenzoic acid 2-acetylphenyl ester
DTXCID0041725226-655-42-Acetyl-1-phenyl 4-methoxybenzoateNSC22359SCHEMBL311792KPHKQJNWBUZGCV-UHFFFAOYSA-N2-ethanoylphenyl 4-methoxybenzoateAKOS003432108
Database identifiers
- CAS
5445-86-3- PubChem CID
- 79522
- DTXSID
DTXSID7063893- UNII
- N1WO3Y4M54
- EC Number
- 226-655-4
- Nikkaji
- J210.488A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- FDA UNII
- 1 WO3Y4M54 · N1WO3Y4M54
- EPA Substance Registry System
- 4 · Benzoic acid, 4-methoxy-, 2-acetylphenyl ester (5445-86-3)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H400
- Precautionary statements
- 273 · P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H400
- Precautionary statements
- P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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