BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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6-methoxy-indan-5-ol

6-methoxy-indan-5-ol synonyms

6-methoxy-indan-5-ol

Wikipedia:

Graphical representations:

6-methoxy-indan-5-ol image

View large 3D structure

Molecular Formula: C10 H12 O2

Natural Isotopic Abundance Mass: 164.20108

Mono-Isotopic Molecular Masses:

  • C12N14: 164.0837296294
  • C13N14: 174.1172780074
  • C12N15: 164.0837296294
  • C13N15: 174.1172780074

InChI String: InChI=1S/C10H12O2/c1-12-10-6-8-4-2-3-7(8)5-9(10)11/h5-6,11H,2-4H2,1H3

Canonical and Isomeric SMILES: COC2=C(C=C1CCCC1=C2)O

Beilstein
6-methoxy-indan-5-ol

PubChem Substance (SID):   111678083
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 3048
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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