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Basic information
- CAS
216581-47-4- Standard SMILES
Cc1cc(=O)c(OCc2ccccc2)c(C(=O)O)o1- InChIKey
WYDDQRFWOUARKA-UHFFFAOYSA-N- Molecular formula
- C14H12O5
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.06847348
Names & identifiers
- Preferred name
- 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
- IUPAC
- 6-methyl-4-oxo-3-phenylmethoxypyran-2-carboxylic acid
- English name
- 6-methyl-4-oxo-3-phenylmethoxypyran-2-carboxylic acid
- Molecular formula
- C14H12O5
- Molecular weight
- 260.24
Names & synonyms
216581-47-43-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid6-methyl-4-oxo-3-phenylmethoxypyran-2-carboxylic acidMFCD263867384H-Pyran-2-carboxylic acid, 6-methyl-4-oxo-3-(phenylmethoxy)-2-Carboxy-3-benzyloxy-6-methyl-pyran-4(1H)-oneAKOS025296223SB13455CS-0439135P20316SCHEMBL338697CHEMBL485159
Show more names
DTXSID40431879PS-16740SY226300DB-365596F7650633-benzyloxy-6-methyl-4-oxo-pyran-2-carboxylic acid6-Methyl-4-oxo-3-phenylmethoxypyran-2-carboxylicacid
Database identifiers
- CAS
216581-47-4- PubChem CID
- 9856497
- DTXSID
DTXSID40431879- ChEMBL
CHEMBL485159
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 441
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
宁波振岳医药科技有限公司19817745290 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京药石科技股份有限公司4000255188 · [email protected]
苏州衡宁医药科技有限公司0512-65649061 17365378613 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
17 records
Compound notes
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