Basic information
- CAS
1242339-32-7- Standard SMILES
CC(=O)c1cccc(-c2ccc(C(=O)O)nc2)c1- InChIKey
MAOPBHRIVVWWTI-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 5-(3-Acetylphenyl)-picolinic acid
- IUPAC
- 5-(3-acetylphenyl)pyridine-2-carboxylic acid
- English name
- 5-(3-Acetylphenyl)-picolinic acid
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24204
Names & synonyms
5-(3-Acetylphenyl)-picolinic acid1242339-32-75-(3-acetylphenyl)pyridine-2-carboxylic acidSCHEMBL2555986DTXSID406793105-(3-Acetylphenyl)-picolinicacid5-(3-Acetylphenyl)picolinic acidMFCD168176205-(3-Acetylphenyl)picolinic acid, 95%5-(3-Acetylphenyl)-2-pyridinecarboxylic acid
Database identifiers
- CAS
1242339-32-7- PubChem CID
- 50998564
- DTXSID
DTXSID40679310
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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