Phenyl Acetate

Phenyl Acetate bmse000481 - Data

Phenyl synonyms

Phenyl acetate; Acetic acid,phenyl ester; Acetic acid, phenyl ester; Acetic acid phenyl ester; Phenol acetate; Acetylphenol; Acetyl phenol; acetic acid, phenyl ester

Wikipedia:

Graphical representations:

Phenyl

View large 3D structure

Molecular Formula: C8H8O2

Natural Isotopic Abundance Mass: 136.14792

Mono-Isotopic Molecular Masses:

  • C12N14: 136.052429501
  • C13N14: 144.0792682034
  • C12N15: 136.052429501
  • C13N15: 144.0792682034

InChI string: InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3

PubChem Compound (CID): 31229
CAS Registry number: 122-79-2
Sigma-Aldrich: W395803_ALDRICH
ChEBI: CHEBI:8082
ZINC: ZINC00388064
ChemSpider: 15211546
NMRShiftDB: 20034899
KEGG Compound ID: C00548
DTP/NCI: 27795
NIST Chemistry WebBook: 2094849341
MMCD: cq_00393
MDL: MFCD00008699

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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)