Basic information
- CAS
6331-85-7- Standard SMILES
O=C(O)CC(=O)NC1c2ccccc2Oc2ccccc21- InChIKey
JQDDSROIZYKBKT-UHFFFAOYSA-N- Molecular formula
- C16H13NO4
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.0844579
Names & identifiers
- Preferred name
- 3-Oxo-3-(9h-xanthen-9-ylamino)propanoic acid
- IUPAC
- 3-oxo-3-(9H-xanthen-9-ylamino)propanoic acid
Names & synonyms
6331-85-73-oxo-3-(9h-xanthen-9-ylamino)propanoic acidNSC37337DTXSID60284465NSC-373373-Oxo-3-[(9H-xanthen-9-yl)amino]propanoic acid
Database identifiers
- CAS
6331-85-7- PubChem CID
- 235686
- DTXSID
DTXSID60284465
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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