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5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione

HCID 268754
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=c1[nH]cc(C=NO)c(=O)[nH]1
InChIKey
VBGVWIZIDMFPKA-UHFFFAOYSA-N
Molecular formula
C5H5N3O3
Average molar mass
155.11 g/mol

Names & identifiers

Preferred name
5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione
IUPAC
5-(hydroxyiminomethyl)-1H-pyrimidine-2,4-dione

Names & synonyms

SCHEMBL7822163VBGVWIZIDMFPKA-UHFFFAOYSA-N5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione

Database identifiers

PubChem CID
268754

Properties

Computed structural properties

XLogP
-0.8
Topological polar surface area
90.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
256

Related reactions

4 records
New reaction record
HRID 342529 reaction equation
HRID 342529As productuspto-grants-1999_01
HRID 342536 reaction equation
HRID 342536As reactantuspto-grants-1999_01
HRID 672927 reaction equation
HRID 672927As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1210383 reaction equation
HRID 1210383As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes