CHEBI:48614 - 1,3-dimethylnaphthalene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,3-dimethylnaphthalene
ChEBI ID CHEBI:48614
Definition A dimethylnaphthalene carrying methyl groups at positions 1 and 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB4665939, eMolecules:501939, ZINC000001694147
Download Molfile XML SDF
Formula C12H12
Net Charge 0
Average Mass 156.22368
Monoisotopic Mass 156.09390
InChI InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
InChIKey QHJMFSMPSZREIF-UHFFFAOYSA-N
SMILES Cc1cc(C)c2ccccc2c1
ChEBI Ontology
Outgoing 1,3-dimethylnaphthalene (CHEBI:48614) is a dimethylnaphthalene (CHEBI:48853)
IUPAC Name
1,3-dimethylnaphthalene
Synonym Source
1,3-DMN Patent
Manual Xref Database
EP1852409 Patent
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Registry Numbers Types Sources
2039378 Reaxys Registry Number Reaxys
575-41-7 CAS Registry Number NIST Chemistry WebBook
575-41-7 CAS Registry Number ChemIDplus
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Last Modified
20 March 2014