Basic information
- CAS
59195-28-7- Standard SMILES
O=C(O)c1cc(-c2ccccc2)c(C(=O)O)cn1- InChIKey
XFFZVIRSYFJKEX-UHFFFAOYSA-N- Molecular formula
- C13H9NO4
- Average molar mass
- 243.21 g/mol
- Monoisotopic mass
- 243.05315777
Names & identifiers
- Preferred name
- 4-Phenylpyridine-2,5-dicarboxylic acid
- IUPAC
- 4-phenylpyridine-2,5-dicarboxylic acid
- English name
- 4-PHENYL-2,5-PYRIDINEDICARBOXYLIC ACID
- Molecular formula
- C13H9NO4
- Molecular weight
- 243.21
Names & synonyms
4-phenylpyridine-2,5-dicarboxylic acid59195-28-7DTXSID00345908RefChem:295541DTXCID002969814-Phenyl-pyridine-2,5-dicarboxylic acidTimTec1_0055104-phenylisocinchomeronic acidOprea1_421841Oprea1_633677CBDivE_001464SCHEMBL686861
Show more names
TIMTEC-BB SBB0015444-PHENYL-2,5-PYRIDINEDICARBOXYLIC ACID2,5-Pyridinedicarboxylic acid, 4-phenyl-
SCHEMBL29914342XFFZVIRSYFJKEX-UHFFFAOYSA-NHMS1549K10SBB001544STK7520384-phenylpyridine-2,5-dicarboxylicacidAKOS0003014724-Phenyl-2,5-pyridinedicarboxylic acid #
Database identifiers
- CAS
59195-28-7- PubChem CID
- 607995
- DTXSID
DTXSID00345908
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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