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Heptanal

  • Formula: C7H14O

  • Molecular weight: 114.19

  • Smiles: CCCCCCC=O

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Heptanal

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Heptanal

  • First synonym: Heptanal

  • Synonyms: Heptanal,Heptaldehyde,111-71-7,Enanthaldehyde,n-Heptaldehyde,Enanthal,N-HEPTANAL,Heptyl aldehyde,Oenanthaldehyde,Heptanaldehyde,n-Heptylaldehyde,Oenanthal,Oenanthol,Enanthic aldehyde,Oenanthic aldehyde,Heptylaldehyde,Enanthole,Aldehyde C-7,1-Heptanal,1-Heptaldehyde,n-C6H13CHO,NSC 2190,heptan-1-al,UNII-92N104S3HF,CHEMBL18104,CHEBI:34787,92N104S3HF,DSSTox_CID_1597,DSSTox_RID_76224,DSSTox_GSID_21597,Heptanal (natural),FEMA Number 2541,CAS-111-71-7,FEMA No. 2540,CCRIS 6041,HSDB 6026,EINECS 203-898-4,UN3056,BRN 1560236,Oenanthole,AI3-02066,MFCD00007028,Heptaldehyde, 95%,n-Heptaldehyde [UN3056] [Flammable liquid],ACMC-2099ah,EC 203-898-4,WLN: VH6,SCHEMBL22542,BIDD:ER0302,DTXSID0021597,FEMA 2540,Heptaldehyde, analytical standard,NSC2190,Heptanal, >=95%, FCC, FG,NSC-2190,STR02180,ZINC1577197,Tox21_202173,Tox21_302779,7790AF,BDBM50028829,LMFA06000001,STL453624,AKOS000121137,MCULE-5251820425,Heptaldehyde, technical, >=95% (GC),NCGC00091807-01,NCGC00091807-02,NCGC00256491-01,NCGC00259722-01,DB-041000,H0025,n-Heptaldehyde [UN3056] [Flammable liquid],A802402,Q425827,J-002620,J-521429,F2190-0613

Identifiers / External links

Structure

  • Smiles: CCCCCCC=O

  • Isomeric smiles: CCCCCCC=O

  • Inchi: InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3

  • Inchikey: FXHGMKSSBGDXIY-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C7H14O

  • Molecular weight: 114.19

  • Monoisotopic mass: 114.104465066

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