Methyl 5-((hydroxyimino)methyl)-2-methoxybenzoate

Substructure search Find similar structures

Basic information

CAS: 191605-12-6
Standard SMILES: COC(=O)c1cc(C=NO)ccc1OC
InChIKey: BLKOGKOVBBTUEF-UHFFFAOYSA-N
Molecular formula: C10H11NO4
Average molar mass: 209.2 g/mol
Monoisotopic mass: 209.06880783

Names & identifiers

Preferred name: Methyl 5-((hydroxyimino)methyl)-2-methoxybenzoate
IUPAC: methyl 5-(hydroxyiminomethyl)-2-methoxybenzoate

Names & synonyms

191605-12-6Methyl 5-((hydroxyimino)methyl)-2-methoxybenzoateMethyl 5-[(hydroxyimino)methyl]-2-methoxybenzoateSCHEMBL3595923BLKOGKOVBBTUEF-UHFFFAOYSA-NDTXSID501232661DB-095099

Database identifiers

CAS: 191605-12-6
PubChem CID: 58993456
DTXSID: DTXSID501232661

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 68.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 242

Related reactions

8 records

New reaction record

HRID 391384As productuspto-grants-2013_02

HRID 391385As reactantuspto-grants-2013_02

HRID 391392As productuspto-grants-2013_02

HRID 391393As reactantuspto-grants-2013_02

HRID 391400As productuspto-grants-2013_02

HRID 391401As reactantuspto-grants-2013_02

HRID 1206539As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1221378As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

Loading…