BMRB

Biological Magnetic Resonance Data Bank


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

Indole-3-carboxaldehyde

Indole-3-carboxaldehyde synonyms

1H-Indole-3-carboxaldehyde; Indole-3-carbaldehyde; Indole-3-carboxaldehyde; I3A

Wikipedia:

Graphical representations:

indole-3-carboxaldehyde image

Molecular Formula: C9 H7 N O

Natural Isotopic Abundance Mass: 145.15798

Mono-Isotopic Molecular Masses:

  • C12N14: 145.052763852
  • C13N14: 154.0829573922
  • C12N15: 146.0497987452
  • C13N15: 155.0799922854

InCHi String:

canonical and isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)C=O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
1H-indole-3-carbaldehyde

PUBCHEM iupac CAS NAME
1H-indole-3-carboxaldehyde

PubChem Substance (SID):   111677784   10686   24847903
PubChem Compound (CID):   10256
KEGG: Compound ID   C08493
CAS Registry IDs:   487-89-8
PDB Chemical Component   I3A
Miscellaneous Databases and IDs:   Sigma-Aldrich 129445_ALDRICH   MMDB 61902.5   ZINC ZINC00087959   NIST 2150397878   MMCD cq_05179   MDL MFCD00005622

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.