P-tolualdehyde

P-tolualdehyde bmse000527 - Data

P-tolualdehyde synonyms

p-Toluylaldehyde; p-Formyltoluene; Benzaldehyde, 4-methyl-; 4-Tolualdehyde; para-Tolualdehyde; para-Toluyl aldehyde; para-Methylbenzaldehyde; benzaldehyde, 4-methyl-; p-Tolylaldehyde; 4-Toluylaldehyde; 4-Methylbenzaldehyde

Wikipedia:

Graphical representations:

p-tolualdehyde

View large 3D structure

Molecular Formula: C8H8O

Natural Isotopic Abundance Mass: 120.14852

Mono-Isotopic Molecular Masses:

  • C12N14: 120.0575148789
  • C13N14: 128.0843535813
  • C12N15: 120.0575148789
  • C13N15: 128.0843535813

InChI string: InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3

PubChem Compound (CID): 7725
CAS Registry number: 104-87-0
Sigma-Aldrich: T35602_ALDRICH
HSDB: 5361
ChemIDplus: 000104870
ChemSpider: 10675518
EINECS: 203-246-9
CCRIS: 2942
NMRShiftDB: 9674
DTP/NCI: 2224
NIST: 3774970022
ZINC: ZINC00896404
UM-BBD: c0201
KEGG Compound ID: C06758
ChemDB: 4260600
NIST Chemistry WebBook: 3774970022
MMCD: cq_03904
MDL: MFCD00006954

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)