(Z)-4-(9H-fluoren-3-ylamino)-4-oxobut-2-enoic acid
Basic information
- CAS
6296-24-8- Standard SMILES
O=C(O)/C=C\C(=O)Nc1ccc2c(c1)-c1ccccc1C2- InChIKey
DPUGLVUNPUIJBN-FPLPWBNLSA-N- Molecular formula
- C17H13NO3
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.08954328
Names & identifiers
- Preferred name
- (Z)-4-(9H-fluoren-3-ylamino)-4-oxobut-2-enoic acid
- IUPAC
- (Z)-4-(9H-fluoren-3-ylamino)-4-oxobut-2-enoic acid
Names & synonyms
NSC49692NSC-496926296-24-8CHEMBL1409986NCGC00013620NCGC00013620-02NCGC00096732-01
Database identifiers
- CAS
6296-24-8- PubChem CID
- 5351815
- ChEMBL
CHEMBL1409986- Nikkaji
- J800.963E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
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Compound notes
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