2-Cyano-4,4,5-trimethoxy-5-oxo-3-phenylpentanoic acid
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Basic information
- CAS
62966-44-3- Standard SMILES
COC(=O)C(OC)(OC)C(c1ccccc1)C(C#N)C(=O)O- InChIKey
HXXWQAUMSYFMIN-UHFFFAOYSA-N- Molecular formula
- C15H17NO6
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.10558726
Names & identifiers
- Preferred name
- 2-Cyano-4,4,5-trimethoxy-5-oxo-3-phenylpentanoic acid
- IUPAC
- 2-cyano-4,4,5-trimethoxy-5-oxo-3-phenylpentanoic acid
- English name
- 2-cyano-4,4,5-trimethoxy-5-oxo-3-phenylpentanoic acid
- Molecular formula
- C15H17NO6
- Molecular weight
- 307.29858
Names & synonyms
2-cyano-4,4,5-trimethoxy-5-oxo-3-phenylpentanoic acidAG-650/41069191
Database identifiers
- CAS
62966-44-3- PubChem CID
- 4173543
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
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Compound notes
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