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(2S)-2-[oxo-(phenylhydrazo)methyl]-1-pyrrolidinecarboxylic acid 9H-fluoren-9-ylmethyl ester
1. Names and Identifiers
- 1.1 Name
- (2S)-2-[oxo-(phenylhydrazo)methyl]-1-pyrrolidinecarboxylic acid 9H-fluoren-9-ylmethyl ester
- 1.2 CAS No.
- 474316-88-6
- 1.3 CID
- 101198959
- 1.4 Molecular Formula
- C26H25N3O3
- 1.5 Inchi
- InChI=1S/C26H25N3O3/c30-25(28-27-18-9-2-1-3-10-18)24-15-8-16-29(24)26(31)32-17-23-21-13-6-4-11-19(21)20-12-5-7-14-22(20)23/h1-7,9-14,23-24,27H,8,15-17H2,(H,28,30)/t24-/m0/s1
- 1.6 InChkey
- VGJLCWJXDGWZLQ-DEOSSOPVSA-N
- 1.7 Canonical Smiles
- C1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)NNC5=CC=CC=C5
- 1.8 Isomers Smiles
- C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)NNC5=CC=CC=C5
2. Computed Properties
- Molecular Weight：427.5g/mol
- Molecular Formula：C26H25N3O3
- Compound Is Canonicalized：True
- Exact Mass：5
- XLogP3-AA：427.18959167
- Monoisotopic Mass：427.18959167
- Complexity：643
- Rotatable Bond Count：6
- Hydrogen Bond Donor Count：2
- Hydrogen Bond Acceptor Count：4
- Topological Polar Surface Area：70.7
- Heavy Atom Count：：32
- Defined Atom Stereocenter Count：1
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADceB7MAAAAAAAAAAAAAAAAAAAAeIAAAAwYMAAAAAAAGABUAAAHgAYAAAADSjhmAYwyINiBACIAiVSWACCBAAgAgIaqAGIZIgIYDKAkbGcIABk1gGIyAeYwfAOgAAAAAAQAAAAAAAAACAAAQAACAAAAA==
3. Realated Product Infomation
EN![(2S)-2-[oxo-(phenylhydrazo)methyl]-1-pyrrolidinecarboxylic acid 9H-fluoren-9-ylmethyl ester structure](https://structimg.guidechem.com/12/12/4221911.png)
