Basic information
- CAS
70460-62-7- Standard SMILES
COc1ccc(C2Oc3ccccc3C(=O)C2N)cc1- InChIKey
CNJVYMBBVJJDME-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- 3-Amino-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
- IUPAC
- 3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Names & synonyms
3-Amino-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-oneNSC 7109470460-62-7NSC71094CHEMBL11869713-amino-2-(4-methoxyphenyl)chroman-4-one
Database identifiers
- CAS
70460-62-7- PubChem CID
- 415588
- ChEMBL
CHEMBL1186971
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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