Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate
Basic information
- CAS
151646-60-5- Standard SMILES
COC(=O)C(=O)C=C(O)c1ccccc1[N+](=O)[O-]- InChIKey
LXNYKLNMJYCHBA-UHFFFAOYSA-N- Molecular formula
- C11H9NO6
- Average molar mass
- 251.19 g/mol
- Monoisotopic mass
- 251.04298701
Names & identifiers
- Preferred name
- Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate
- IUPAC
- methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate
Names & synonyms
methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoateDTXSID601219501Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxo-3-butenoate151646-60-5
Database identifiers
- CAS
151646-60-5- PubChem CID
- 7157367
- DTXSID
DTXSID601219501
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 383
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Compound notes
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