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Methyl 11-chloroundec-2-enoate

HCID 123787642
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(=O)C=CCCCCCCCCCl
InChIKey
FTKNYNLTRKSXEB-UHFFFAOYSA-N
Molecular formula
C12H21ClO2
Average molar mass
232.74 g/mol
Monoisotopic mass
232.1230076

Names & identifiers

Preferred name
Methyl 11-chloroundec-2-enoate
IUPAC
methyl 11-chloroundec-2-enoate

Names & synonyms

SCHEMBL14151124

Database identifiers

PubChem CID
123787642

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
10
Heavy atoms
15
Formal charge
0
Complexity
178

Related reactions

1 records
New reaction record
HRID 2123119 reaction equation
HRID 2123119As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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