BMRB

Biological Magnetic Resonance Data Bank


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

Precocene 1

Graphical representations:

Precocene 1 image

Molecular Formula: C12 H14 O2

Natural Isotopic Abundance Mass: 190.23836

Mono-Isotopic Molecular Masses:

  • C12N14: 190.0993796936
  • C13N14: 202.1396377472
  • C12N15: 190.0993796936
  • C13N15: 202.1396377472

InCHi String: InChI=1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3

canonical and isomeric SMILES: CC1(C=CC2=C(O1)C=C(C=C2)OC)C

PUBCHEM iupac NAME
7-methoxy-2,2-dimethylchromene

PUBCHEM iupac TRADITIONAL NAME
7-methoxy-2,2-dimethyl-chromene

PUBCHEM iupac CAS NAME
7-methoxy-2,2-dimethyl-1-benzopyran

PubChem Substance (SID):   111677883   171063   11209
PubChem Compound (CID):   28619
KEGG: Compound ID   C09017
CAS Registry IDs:   17598-02-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 17598-02-6   MMCD cq_05693   EINECS 241-566-0   Beilstein Handbook Reference 5-17-04-00270   ChemIDplus 017598026   NIST Chemistry WebBook 3313435025   NIST 3313435025

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.