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4-Fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid

HCID 68716919
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C1(O)CC=C(F)CC1
InChIKey
YSQWAIHCXUUTSQ-UHFFFAOYSA-N
Molecular formula
C7H9FO3
Average molar mass
160.14 g/mol

Names & identifiers

Preferred name
4-Fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid
IUPAC
4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid

Names & synonyms

SCHEMBL3620574YSQWAIHCXUUTSQ-UHFFFAOYSA-N4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid

Database identifiers

PubChem CID
68716919

Properties

Computed structural propertiesFilling in

XLogP
0.3
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
212

Related reactions

4 records
New reaction record
HRID 1160620 reaction equation
HRID 1160620As productuspto-grants-2010_10
HRID 1160621 reaction equation
HRID 1160621As reactantuspto-grants-2010_10
HRID 1206772 reaction equation
HRID 1206772As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1240407 reaction equation
HRID 1240407As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes