Cyclohexyl(1-hydroxycycloheptyl)acetic acid
Basic information
- CAS
92791-19-0- Standard SMILES
O=C(O)C(C1CCCCC1)C1(O)CCCCCC1- InChIKey
XQOUFQTXPZMJTR-UHFFFAOYSA-N- Molecular formula
- C15H26O3
- Average molar mass
- 254.36 g/mol
- Monoisotopic mass
- 254.18819469
Names & identifiers
- Preferred name
- Cyclohexyl(1-hydroxycycloheptyl)acetic acid
- IUPAC
- 2-cyclohexyl-2-(1-hydroxycycloheptyl)acetic acid
Names & synonyms
92791-19-0cyclohexyl(1-hydroxycycloheptyl)acetic acidNSC28305DTXSID30282832NSC-28305
Database identifiers
- CAS
92791-19-0- PubChem CID
- 231685
- DTXSID
DTXSID30282832
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
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Compound notes
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