Benzene-1,3-dicarboxylic acid-piperazine(1:1)
Basic information
- CAS
21686-63-5- Standard SMILES
C1CNCCN1.O=C(O)c1cccc(C(=O)O)c1- InChIKey
AANNDPUNGLYKRY-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.111007
Names & identifiers
- Preferred name
- Benzene-1,3-dicarboxylic acid-piperazine(1:1)
- IUPAC
- benzene-1,3-dicarboxylic acid;piperazine
Names & synonyms
21686-63-5benzene-1,3-dicarboxylic acid- piperazine(1:1)NSC86819SCHEMBL9665151DTXSID80293014NSC-86819Benzene-1,3-dicarboxylic acid--piperazine (1/1)
Database identifiers
- CAS
21686-63-5- PubChem CID
- 258103
- DTXSID
DTXSID80293014
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 206
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Compound notes
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