Methyl 2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carboxylate
Basic information
- CAS
5314-78-3- Standard SMILES
COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(C)cc1- InChIKey
YXCPWEXCGAXEJX-UHFFFAOYSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Names & identifiers
- Preferred name
- Methyl 2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carboxylate
- IUPAC
- methyl 2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carboxylate
Names & synonyms
5314-78-3Methyl 2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carboxylateDTXSID10412054Methyl 2-amino-7-hydroxy-4-(4-methylphenyl)-4H-1-benzopyran-3-carboxylate
Database identifiers
- CAS
5314-78-3- PubChem CID
- 5234571
- DTXSID
DTXSID10412054
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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