Basic information
- CAS
54903-23-0- Standard SMILES
COc1ccc(/C=C/C(=O)c2ccc3[nH]c(=O)oc3c2)cc1- InChIKey
CLXFTNRFNACNSF-RUDMXATFSA-N- Molecular formula
- C17H13NO4
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.0844579
Names & identifiers
- Preferred name
- 2(3H)-Benzoxazolone, 6-(3-(4-methoxyphenyl)-1-oxo-2-propenyl)-
- IUPAC
- 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
Names & synonyms
2(3H)-Benzoxazolone, 6-(3-(4-methoxyphenyl)-1-oxo-2-propenyl)-54903-23-0RefChem:1058722JPB 53BRN 10034286-(3-(4-Methoxyphenyl)-1-oxo-2-propenyl)-2(3H)-benzoxazoloneCHEMBL249753
Database identifiers
- CAS
54903-23-0- PubChem CID
- 6446136
- ChEMBL
CHEMBL249753
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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