2-Ethylhexyl 2-oxochromene-3-carboxylate
Basic information
- CAS
7460-88-0- Standard SMILES
CCCCC(CC)COC(=O)c1cc2ccccc2oc1=O- InChIKey
JZTYWEIHDMHLIO-UHFFFAOYSA-N- Molecular formula
- C18H22O4
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15180918
Names & identifiers
- Preferred name
- 2-Ethylhexyl 2-oxochromene-3-carboxylate
- IUPAC
- 2-ethylhexyl 2-oxochromene-3-carboxylate
Names & synonyms
7460-88-02-ethylhexyl 2-oxochromene-3-carboxylateNSC404237DTXSID50323539NSC-4042372-Ethylhexyl 2-oxo-2H-1-benzopyran-3-carboxylate
Database identifiers
- CAS
7460-88-0- PubChem CID
- 346153
- DTXSID
DTXSID50323539
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…