Basic information
- CAS
83823-15-8- Standard SMILES
O=C(NCC(O)c1ccccc1)C1=Cc2ccccc2OC1- InChIKey
LGYVKNSGVBXEQD-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.1208434
Names & identifiers
- Preferred name
- N-(2-Hydroxy-2-phenylethyl)-2H-1-benzopyran-3-carboximidic acid
- IUPAC
- N-(2-hydroxy-2-phenylethyl)-2H-chromene-3-carboxamide
Names & synonyms
83823-15-8DTXSID901003896N-(2-Hydroxy-2-phenylethyl)-2H-1-benzopyran-3-carboximidic acidRefChem:1091045DTXCID501430801BRN 4518590N-(2-Hydroxy-2-phenylethyl)-2H-1-benzopyran-3-carboxamide2H-1-BENZOPYRAN-3-CARBOXAMIDE, N-(2-HYDROXY-2-PHENYLETHYL)-
Database identifiers
- CAS
83823-15-8- PubChem CID
- 55153
- DTXSID
DTXSID901003896
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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