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4-(Hydroxyimino)-4-phenylbutanoic acid

HCID 231936
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CCC(=NO)c1ccccc1
InChIKey
QEBFDSLTQPOGBG-UHFFFAOYSA-N
Molecular formula
C10H11NO3
Average molar mass
193.2 g/mol

Names & identifiers

Preferred name
4-(Hydroxyimino)-4-phenylbutanoic acid
IUPAC
4-hydroxyimino-4-phenylbutanoic acid

Names & synonyms

4-(hydroxyimino)-4-phenylbutanoic acidSCHEMBL5099035QEBFDSLTQPOGBG-UHFFFAOYSA-N4-Hydroximino-4-phenylbutyric acid

Database identifiers

PubChem CID
231936

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
69.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14
Formal charge
0
Complexity
219

Related reactions

5 records
New reaction record
HRID 32458 reaction equation
HRID 32458As productuspto-grants-2008_09
HRID 32459 reaction equation
HRID 32459As reactantuspto-grants-2008_09
HRID 94463 reaction equation
HRID 94463As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 669659 reaction equation
HRID 669659As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1059089 reaction equation
HRID 1059089As productuspto-grants-2003_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes