Basic information
- CAS
63014-61-9- Standard SMILES
O=C(O)C1=C(C=C(c2ccccc2)c2ccccc2)OCCC1- InChIKey
QTSNFJKZUBJEOH-UHFFFAOYSA-N- Molecular formula
- C20H18O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.12559443
Names & identifiers
- Preferred name
- 6-(2,2-diphenylethenyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
- IUPAC
- 6-(2,2-diphenylethenyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
Names & synonyms
63014-61-96-(2,2-diphenylethenyl)-3,4-dihydro-2H-pyran-5-carboxylic acidNSC295397DTXSID40315549NSC-2953976-(2,2-Diphenylethen-1-yl)-3,4-dihydro-2H-pyran-5-carboxylic acid
Database identifiers
- CAS
63014-61-9- PubChem CID
- 325845
- DTXSID
DTXSID40315549
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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