Basic information
- CAS
7402-18-8- Standard SMILES
CCC(=O)OC1CCCCC1O- InChIKey
BTRFCBURJZJIDA-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 2-Hydroxycyclohexyl propanoate
- IUPAC
- (2-hydroxycyclohexyl) propanoate
Names & synonyms
2-hydroxycyclohexyl propanoate7402-18-8DTXSID00288260RefChem:261848DTXCID30239407NSC55119SCHEMBL156239483-hydroxy-4-propionyloxycyclo-hexaneNSC-55119
Database identifiers
- CAS
7402-18-8- PubChem CID
- 244286
- DTXSID
DTXSID00288260- Nikkaji
- J1.838.147H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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