Basic information
- CAS
65843-60-9- Standard SMILES
COC(=O)c1ccc(OCc2ccccc2)c(C(C)=O)c1- InChIKey
NMUICRCYABIKOH-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- Methyl 3-acetyl-4-(benzyloxy)benzoate
- IUPAC
- methyl 3-acetyl-4-phenylmethoxybenzoate
- English name
- Benzoic acid, 3-acetyl-4-(phenylmethoxy)-, methyl ester
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31
Names & synonyms
65843-60-9Methyl 3-acetyl-4-(benzyloxy)benzoateBenzoic acid, 3-acetyl-4-(phenylmethoxy)-, methyl esterAZD-9291 Impurity 163-Acetyl-4-benzyloxy-benzoic acid methyl esterMFCD22378265methyl 3-acetyl-4-phenylmethoxybenzoateSalmeterol Impurity 21SCHEMBL8641451DTXSID50622433NMUICRCYABIKOH-UHFFFAOYSA-Nmethyl 3-acetyl-4-benzyloxybenzoate
Show more names
Salmeterol Impurity 15
methyl 3-acetyl-4-benzyloxy-benzoateAT22441
Database identifiers
- CAS
65843-60-9- PubChem CID
- 22101033
- DTXSID
DTXSID50622433
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 443.5 · 443.5±35.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers13 total
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
安徽合诺生物科技有限公司0555-2761852
南京望知星医药科技有限公司18569809817 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
广州市震霖医药科技有限公司18102736234 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
Related reactions
3 records
Compound notes
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