Basic information
- CAS
7401-76-5- Standard SMILES
COc1cccc(-c2cc3ccc(OC(C)=O)cc3oc2=O)c1- InChIKey
YDQUSRUQFABOBQ-UHFFFAOYSA-N- Molecular formula
- C18H14O5
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.08412354
Names & identifiers
- Preferred name
- 3-(3-Methoxyphenyl)-2-oxo-2h-chromen-7-yl acetate
- IUPAC
- [3-(3-methoxyphenyl)-2-oxochromen-7-yl] acetate
Names & synonyms
3-(3-methoxyphenyl)-2-oxo-2h-chromen-7-yl acetate7401-76-5[3-(3-methoxyphenyl)-2-oxochromen-7-yl] acetateNSC17059F3385-6205DTXSID70280473NSC-17059STL099436AKOS002298726NS00126857ST50472368VU0617946-1
Show more names
3-(3-methoxyphenyl)-2-oxochromen-7-yl acetateSR-01000919426SR-01000919426-13-(3-Methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl acetate
Database identifiers
- CAS
7401-76-5- PubChem CID
- 226512
- DTXSID
DTXSID70280473
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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