Basic information
- CAS
603-64-5- Standard SMILES
Cc1cc(=O)n(-c2ccccc2)n1C.O=C(O)C(O)c1ccccc1- InChIKey
ICBPURKUPVLVCM-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14230712
Names & identifiers
- Preferred name
- Antipyrine mandelate
- IUPAC
- 1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxy-2-phenylacetic acid
Names & synonyms
Antipyrine mandelateTusselTussolAntipyrin mandelateAntipyrine amygdalateAntipyrine mandelate [MI]Antipyrine, mandelate (1:1)Antipyrine mandelate, (+/-)-UNII-755160V3M8603-64-5755160V3M8SCHEMBL30623479
Show more names
DTXSID00975709Q27266342Hydroxy(phenyl)acetic acid--1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (1/1)
Database identifiers
- CAS
603-64-5- PubChem CID
- 20056735
- DTXSID
DTXSID00975709- UNII
- 755160V3M8
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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