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- 62673-91-0
62673-91-0
（name: 2-Piperazinecarboxaldehyde, 3,6-dioxo-5-phenyl-）
- 2-Piperazinecarboxaldehyde, 3,6-dioxo-5-phenyl-
- 3,6-dioxo-5-phenylpiperazine-2-carbaldehyde
- DTXSID20711883
- DTXSID20711883
- 3,6-Dioxo-5-phenylpiperazine-2-carbaldehyde
- 3,6-Dioxo-5-phenylpiperazine-2-carbaldehyde
- 62673-91-0
- 62673-91-0
- CHEMBL3247677
- CHEMBL3247677
- InChIKey：YMBPAPZMXCMSBL-UHFFFAOYSA-N
- Inchi：InChI=1S/C11H10N2O3/c14-6-8-10(15)13-9(11(16)12-8)7-4-2-1-3-5-7/h1-6,8-9H,(H,12,16)(H,13,15)
- SMILES：C1=CC=C(C=C1)C2C(=O)NC(C(=O)N2)C=O
Computed Properties
- Exact Mass: 218.0692
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Rotatable Bond Count: 2
- Monoisotopic Mass: 218.06914219g/mol
- Heavy Atom Count: 16
- Complexity: 310
- Isotope Atom Count: 0
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Covalently-Bonded Unit Count: 1
- XLogP3: 0.1
- Topological Polar Surface Area: 75.3Ų
Experimental Properties
- PSA: 75.27
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3-Phenylpiperazin-2-one CAS No.: 5368-28-5
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