Basic information
- CAS
87627-16-5- Standard SMILES
O=C(O)Cc1cccc2c(=O)cc(C3CCCCC3)oc12- InChIKey
IWRSUCYIHRYMGX-UHFFFAOYSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Names & identifiers
- Preferred name
- (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid
- IUPAC
- 2-(2-cyclohexyl-4-oxochromen-8-yl)acetic acid
Names & synonyms
87627-16-5NSC361583(2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acidDTXSID00320573NSC-361583
Database identifiers
- CAS
87627-16-5- PubChem CID
- 338522
- DTXSID
DTXSID00320573
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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