Methyl 8-hydroxyoct-5-enoate

HCID 53662957

Notes Reactions

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Basic information

CAS: 83606-22-8
Standard SMILES: COC(=O)CCCC=CCCO
InChIKey: AUOXMYJEFISXAE-UHFFFAOYSA-N
Molecular formula: C9H16O3
Average molar mass: 172.22 g/mol
Monoisotopic mass: 172.10994437

Names & identifiers

Preferred name: Methyl 8-hydroxyoct-5-enoate
IUPAC: methyl 8-hydroxyoct-5-enoate

Names & synonyms

Methyl 8-hydroxyoct-5-enoate83606-22-8SCHEMBL10990245DTXSID50705775

Database identifiers

CAS: 83606-22-8
PubChem CID: 53662957
DTXSID: DTXSID50705775

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 141

Related reactions

1 records

New reaction record

HRID 952970 reaction equation

HRID 952970As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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