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Nonanoic acid 4-hydroxyphenyl ester

HCID 573704
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCC(=O)Oc1ccc(O)cc1
InChIKey
NNTQPUSEGUFPBZ-UHFFFAOYSA-N
Molecular formula
C15H22O3
Average molar mass
250.33 g/mol

Names & identifiers

Preferred name
Nonanoic acid 4-hydroxyphenyl ester
IUPAC
(4-hydroxyphenyl) nonanoate

Names & synonyms

4-octylcarbonyloxyphenol4-Hydroxyphenyl nonanoate #SCHEMBL9724778Nonanoic acid 4-hydroxyphenyl ester

Database identifiers

PubChem CID
573704

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
18
Formal charge
0
Complexity
220

Related reactions

4 records
New reaction record
HRID 200939 reaction equation
HRID 200939As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 568322 reaction equation
HRID 568322As productuspto-grants-1988_03
HRID 1165724 reaction equation
HRID 1165724As productuspto-grants-1990_03
HRID 2372672 reaction equation
HRID 2372672As productuspto-grants-1992_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes