Propanoic acid, 2-hydroxy-, cyclohexyl ester

HCID 517366

Notes Reactions

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Basic information

CAS: 68791-95-7
Standard SMILES: CC(O)C(=O)OC1CCCCC1
InChIKey: MLXVQJMYSKICMT-UHFFFAOYSA-N
Molecular formula: C9H16O3
Average molar mass: 172.22 g/mol
Monoisotopic mass: 172.10994437

Names & identifiers

Preferred name: Propanoic acid, 2-hydroxy-, cyclohexyl ester
IUPAC: cyclohexyl 2-hydroxypropanoate

Names & synonyms

68791-95-7Propanoic acid, 2-hydroxy-, cyclohexyl esterDTXSID30333696RefChem:374735DTXCID40284786cyclohexyl 2-hydroxypropanoateLactic acid, cyclohexyl esterCyclohexyllactatSCHEMBL531407SCHEMBL4675856SCHEMBL7262641Propanoic acid, 2-hydroxy-, cyclohexyl?ester

Database identifiers

CAS: 68791-95-7
PubChem CID: 517366
DTXSID: DTXSID30333696

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 150

Related reactions

1 records

New reaction record

HRID 1213026As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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