BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

3-Methoxybenzamide

3-Methoxybenzamide synonyms

m-Anisamide; m-Methoxybenzamide; 3-Methoxybenzamide; 3-Methoxy-benzamide; 3MB

Wikipedia:

Graphical representations:

3-Methoxybenzamide image

Molecular Formula: C8 H9 N O2

Natural Isotopic Abundance Mass: 151.16256

Mono-Isotopic Molecular Masses:

  • C12N14: 151.0633285383
  • C13N14: 159.0901672407
  • C12N15: 152.0603634315
  • C13N15: 160.0872021339

InCHi String:

canonical and isomeric SMILES: COC1=CC=CC(=C1)C(=O)N

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
3-methoxybenzamide

PubChem Substance (SID):   111677900   10528162   87351022
PubChem Compound (CID):   98487
KEGG: Compound ID   n/a
CAS Registry IDs:   5813-86-5
PDB Chemical Component   3MB
Miscellaneous Databases and IDs:   MDL MFCD00007986   CAS 5813-86-5   MMCD cq_11304   ChEBI CHEBI:305959   MMDB 58347.2   ZINC ZINC04521662   DTP/NCI 209527   NIST Chemistry WebBook 3520116462

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.