bmse000531 1-methylnaphthalene at BMRB

1-methylnaphthalene

Naphthalene, 1-methyl-; Naphthalene, methyl-, homopolymer; alpha-methylnaphthalene; Polymethylnaphthalene; 1-methylnaphthalene; alpha-Methylnaphthalene; 1-Methylnaphthalene; alpha-methyl naphthalenes

Molecular Formula: C11 H10
Natural Isotopic Abundance Mass: 142.1971
Mono-Isotopic Molecular Masses: C12N14: 142.078250321; C13N14: 153.1151535368; C12N15: 142.078250321; C13N15: 153.1151535368

1-methylnaphthalene

InCHi String:
InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3

canonical and isomeric SMILES:
CC1=CC=CC2=CC=CC=C12

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
1-methylnaphthalene

PubChem Substance (SID):   85165312   48424423   24897036
PubChem Compound (CID):   7002
KEGG: Compound ID   C14082
CAS Registry IDs:   78900-94-4   90-12-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich M56808_ALDRICH   ChEBI CHEBI:50717   EPA DSSTox 32786   ChemIDplus 078900944   UM-BBD c0713   ChemSpider 6736   ChemDB 6529492   NCGC NCGC00091700-01   DTP/NCI 3574   Comparative Toxicogenomics Database C025968   NIST Chemistry WebBook 3116376037   MMCD cq_09926   MDL MFCD00004034

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.