2-Hydroxyimino-2-phenylacetic acid

HCID 6816731

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)C(=NO)c1ccccc1
InChIKey: NRNOFFFWOYJUCR-UHFFFAOYSA-N
Molecular formula: C8H7NO3
Average molar mass: 165.15 g/mol
Monoisotopic mass: 165.04259309

Names & identifiers

Preferred name: 2-Hydroxyimino-2-phenylacetic acid
IUPAC: 2-hydroxyimino-2-phenylacetic acid

Names & synonyms

2-(Hydroxyimino)-2-phenylacetic acid2-hydroxyimino-2-phenylacetic acidalpha-oximinophenylacetic acidhydroxyiminophenylethanoic acidSCHEMBL4454729NRNOFFFWOYJUCR-UHFFFAOYSA-NDB-055412

Database identifiers

PubChem CID: 6816731

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 69.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 194

Related reactions

6 records

New reaction record

HRID 214990As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 435990As reactantuspto-grants-1977_02

HRID 617078As reactantuspto-grants-1978_02

HRID 1156160As reactantuspto-grants-1982_06

HRID 1550040As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2317739As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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