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

View large 3D structure

Molecular Formula: C7H8O2

Natural Isotopic Abundance Mass: 124.13722

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2

PubChem Compound (CID): 125
CAS Registry number: 623-05-2
Sigma-Aldrich: H20806_ALDRICH
KEGG Compound ID: 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.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)