Basic information
- CAS
52884-86-3- Standard SMILES
CC(=O)O/C=C/C(C)=C/OC(C)=O- InChIKey
GJTMBEFCTBJFIH-YTXTXJHMSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- (1E,3E)-2-Methylbuta-1,3-diene-1,4-diyl diacetate
- IUPAC
- [(1E,3E)-4-acetyloxy-3-methylbuta-1,3-dienyl] acetate
- English name
- (1E,3E)-2-methylbuta-1,3-diene-1,4-diyl diacetate
- Molecular formula
- C9H12O4
- Molecular weight
- 184.19
Names & synonyms
(1E,3E)-2-Methylbuta-1,3-diene-1,4-diyl diacetate52884-86-3EINECS 258-234-6GJTMBEFCTBJFIH-YTXTXJHMSA-NDTXSID301220006DB-246668NS000572081,3-Butadiene-1,4-diol, 2-methyl-, diacetate, (E,E)-1,3-Butadiene-1,4-diol, 2-methyl-, diacetate, (E,E)- (9CI)Diacetic acid (1E,3E)-2-methyl-1,3-butadiene-1,4-diyl ester
Database identifiers
- CAS
52884-86-3- PubChem CID
- 6437037
- DTXSID
DTXSID301220006- EC Number
- 258-234-6
- Nikkaji
- J295.824D、J310.651I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 250
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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