BMRB

Biological Magnetic Resonance Data Bank


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

4-hydroxybenzyl Alcohol

Graphical representations:

4-hydroxybenzyl alcohol image

Molecular Formula: C7 H8 O2

Natural Isotopic Abundance Mass: 124.13722

Mono-Isotopic Molecular Masses:

  • C12N14: 124.052429501
  • C13N14: 131.0759133656
  • C12N15: 124.052429501
  • C13N15: 131.0759133656

InCHi String:

canonical and isomeric SMILES: C1=CC(=CC=C1CO)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
4-(hydroxymethyl)phenol

PUBCHEM iupac TRADITIONAL NAME
4-methylolphenol

PubChem Substance (SID):   111677766   155483   24895499
PubChem Compound (CID):   125
KEGG: Compound ID   H20806_ALDRICH
CAS Registry IDs:   623-05-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich H20806_ALDRICH   EINECS 210-768-0   CCRIS 5114   ChemIDplus 000623052   DTP/NCI 227926   MMCD cq_10350   MDL MFCD00004658

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.