6-Oxo-6-(9h-xanthen-9-ylamino)hexanoic acid
Basic information
- CAS
7401-02-7- Standard SMILES
O=C(O)CCCCC(=O)NC1c2ccccc2Oc2ccccc21- InChIKey
BULAYKCSZFEZNE-UHFFFAOYSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13140809
Names & identifiers
- Preferred name
- 6-Oxo-6-(9h-xanthen-9-ylamino)hexanoic acid
- IUPAC
- 6-oxo-6-(9H-xanthen-9-ylamino)hexanoic acid
Names & synonyms
7401-02-76-oxo-6-(9h-xanthen-9-ylamino)hexanoic acidNSC37341DTXSID40284468NSC-373416-Oxo-6-[(9H-xanthen-9-yl)amino]hexanoic acid
Database identifiers
- CAS
7401-02-7- PubChem CID
- 235690
- DTXSID
DTXSID40284468
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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