Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester
Basic information
- CAS
313376-39-5- Standard SMILES
CCOC(=O)c1cc(N)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12- InChIKey
MUGROJVUWOVYPG-UHFFFAOYSA-N- Molecular formula
- C22H17NO5
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.11067264
Names & identifiers
- Preferred name
- Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester
- IUPAC
- ethyl 5-amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate
Names & synonyms
313376-39-5Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl esterethyl 5-amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoateSCHEMBL2464428DTXSID10387753MUGROJVUWOVYPG-UHFFFAOYSA-NAB00113667-01ETHYL 5-AMINO-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOATE5-amino-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-benzoic acid ethyl ester
Database identifiers
- CAS
313376-39-5- PubChem CID
- 2907692
- DTXSID
DTXSID10387753
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 752
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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