Basic information
- Standard SMILES
O=C(O)C(=O)c1ccc(OCCCCc2cccnc2)cc1- InChIKey
GQHPQSVIMPUUTP-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- alpha-Oxo-4-[4-(3-pyridinyl)butoxy]benzeneacetic acid
- IUPAC
- 2-oxo-2-[4-(4-pyridin-3-ylbutoxy)phenyl]acetic acid
Names & synonyms
SCHEMBL9042676GQHPQSVIMPUUTP-UHFFFAOYSA-Nalpha-oxo-4-[4-(3-pyridinyl)butoxy]benzeneacetic acid
Database identifiers
- PubChem CID
- 19004529
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Related reactions
2 records
Compound notes
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