Basic information
- CAS
4525-23-9- Standard SMILES
C=C(CC(=O)OC)OC(C)=O- InChIKey
RSUXDGSAMUJZNI-UHFFFAOYSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Names & identifiers
- Preferred name
- 3-Butenoic acid, 3-(acetyloxy)-, methyl ester
- IUPAC
- methyl 3-acetyloxybut-3-enoate
- English name
- methyl 3-(acetoxy)-3-butenoate
- Molecular formula
- C7H10O4
- Molecular weight
- 158.1519
Names & synonyms
3-Butenoic acid, 3-(acetyloxy)-, methyl esterRefChem:499475Methyl 3-(acetoxy)-3-butenoate4525-23-9EINECS 224-857-7METHYL 3-(ACETYLOXY)BUT-3-ENOATEBQ62A57H2EDTXSID60196453RSUXDGSAMUJZNI-UHFFFAOYSA-NMethyl 3-(acetyloxy)-3-butenoateNS000315103-Butenoic acid, 3-hydroxy-, methyl ester, acetate
Show more names
3-Acetyloxy-3-butenoic acid methyl ester
Database identifiers
- CAS
4525-23-9- PubChem CID
- 78285
- DTXSID
DTXSID60196453- UNII
- BQ62A57H2E
- EC Number
- 224-857-7
- Nikkaji
- J205.894D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 3-Butenoic acid, 3-(acetyloxy)-, methyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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