M-tolualdehyde

M-tolualdehyde bmse000552 - Data

M_tolualdehyde synonyms

benzaldehyde, 3-methyl-; 3-methylbenzaldehyde; 3-Methylbenzaldehyde; Benzaldehyde, 3-methyl-; m-Tolualdehyde

Wikipedia:

Graphical representations:

m_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/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3

PubChem Compound (CID): 12105
CAS Registry number: 620-23-5
Sigma-Aldrich: T35505_ALDRICH
ChemBank: NCIOpen2_001577
ChemSpider: 10667802
NMRShiftDB: 10024882
ZINC: ZINC00896722
UM-BBD: c0242
KEGG Compound ID: T35505_ALDRICH
ChemDB: 4115536
NIST Chemistry WebBook: 1652019946
MMCD: cq_04245
MDL: MFCD00003374

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)