Methyl 4-(4-tert-butylphenyl)-4-hydroxy-2-oxobut-3-enoate
Basic information
- CAS
944889-70-7- Standard SMILES
COC(=O)C(=O)C=C(O)c1ccc(C(C)(C)C)cc1- InChIKey
BUHTYXSJTCSHKD-UHFFFAOYSA-N- Molecular formula
- C15H18O4
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.12050905
Names & identifiers
- Preferred name
- Methyl 4-(4-tert-butylphenyl)-4-hydroxy-2-oxobut-3-enoate
- IUPAC
- methyl 4-(4-tert-butylphenyl)-4-hydroxy-2-oxobut-3-enoate
Names & synonyms
DTXSID00694206Methyl 4-(4-tert-butylphenyl)-4-hydroxy-2-oxobut-3-enoate944889-70-7
Database identifiers
- CAS
944889-70-7- PubChem CID
- 53395698
- DTXSID
DTXSID00694206
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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