bmse000690 1_naphthalenemethanol at BMRB

1_naphthalenemethanol

1-menaphthyl alcohol; 1-naphthylmethanol; 1-Naphthylmethanol; 1-Hydroxymethylnaphthalene; naphthalene-1-methanol; 1-naphthylmethyl alcohol; (naphthalen-1-yl)methanol; 1-Naphthalenemethanol

Molecular Formula: C11 H10 O
Natural Isotopic Abundance Mass: 158.1965
Mono-Isotopic Molecular Masses: C12N14: 158.0731649431; C13N14: 169.1100681589; C12N15: 158.0731649431; C13N15: 169.1100681589

1_naphthalenemethanol

InCHi String:
InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2

canonical and isomeric SMILES:
C1=CC=C2C(=C1)C=CC=C2CO

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
naphthalen-1-ylmethanol

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
1-naphthylmethanol

PUBCHEM iupac CAS NAME
1-naphthalenylmethanol

PubChem Substance (SID):   111677828   53801136   10523732
PubChem Compound (CID):   20908
KEGG: Compound ID   C14089
CAS Registry IDs:   4780-79-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 184284_ALDRICH   ChEBI CHEBI:38137   ZINC ZINC01680841   UM-BBD c0720   NIST Chemistry WebBook 19109681   MMCD cq_09933   MDL MFCD00004044

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.