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Basic information
- CAS
4652-27-1- Standard SMILES
COC=CC(C)=O- InChIKey
VLLHEPHWWIDUSS-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.0524295
Names & identifiers
- Preferred name
- 3-Buten-2-one, 4-methoxy-
- IUPAC
- 4-methoxybut-3-en-2-one
Names & synonyms
3-Buten-2-one, 4-methoxy-1-methoxy-1-buten-3-one4-methoxy-3-butene-2-one4-Methoxy-but-3-en-2-oneSCHEMBL560844VLLHEPHWWIDUSS-UHFFFAOYSA-NDTXSID501313861EINECS 225-087-4NSC 66263AKOS025243348AB00959DB-070740
Show more names
NS00047984F3194324-Methoxy-3-buten-2-one; 3-Buten-2-one, 4-methoxy-; 4-Methoxy-3-buten-2-one; 1-Methoxy-1-buten-3-one; NSC 66263
Database identifiers
- CAS
4652-27-1- PubChem CID
- 94297
- DTXSID
DTXSID501313861
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 84.1
Chemistry & industry
Suppliers97 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
40 records
Compound notes
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