Basic information
- CAS
105251-69-2- Standard SMILES
O=C(O)CCC(=O)NC1c2ccccc2Oc2ccccc21- InChIKey
FHJJNOIABKBYQZ-UHFFFAOYSA-N- Molecular formula
- C17H15NO4
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.10010796
Names & identifiers
- Preferred name
- Butanoic acid, 4-oxo-4-(9H-xanthen-9-ylamino)-
- IUPAC
- 4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid
Names & synonyms
105251-69-2Butanoic acid, 4-oxo-4-(9H-xanthen-9-ylamino)-DTXSID403312644-Oxo-4-[(9H-xanthen-9-yl)amino]butanoic acid
Database identifiers
- CAS
105251-69-2- PubChem CID
- 436802
- DTXSID
DTXSID40331264
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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