2-(7-((Ethoxycarbonyl)amino)-2-oxo-2H-chromen-4-yl)acetic acid
Basic information
- CAS
343310-64-5- Standard SMILES
CCOC(=O)Nc1ccc2c(CC(=O)O)cc(=O)oc2c1- InChIKey
ZZKNQGQPRDPHGR-UHFFFAOYSA-N- Molecular formula
- C14H13NO6
- Average molar mass
- 291.26 g/mol
- Monoisotopic mass
- 291.07428713
Names & identifiers
- Preferred name
- 2-(7-((Ethoxycarbonyl)amino)-2-oxo-2H-chromen-4-yl)acetic acid
- IUPAC
- 2-[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]acetic acid
Names & synonyms
343310-64-52-(7-((Ethoxycarbonyl)amino)-2-oxo-2H-chromen-4-yl)acetic acid2H-1-Benzopyran-4-acetic acid, 7-[(ethoxycarbonyl)amino]-2-oxo-DTXSID20454420H509847-Ethoxycarbonylaminocoumarin-4-acetic acid, >98%{7-[(Ethoxycarbonyl)amino]-2-oxo-2H-1-benzopyran-4-yl}acetic acid
Database identifiers
- CAS
343310-64-5- PubChem CID
- 11077151
- DTXSID
DTXSID20454420
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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