1,3-Butadiene


1,3-Butadiene
DEDuCT identifierDED000708
Pubchem identifier7845
CAS identifier106-99-0
IUPAC name1,3-Butadiene
Category based on type of supporting evidenceCategory III
Broad category based on environmental sourceIndustry, Consumer Products, Intermediates, Agriculture and Farming
Sub-category based on environmental sourceAnalytical Chemicals in Industry and Research, Automotive, Bleaching agents, Construction, Electrical and Electronics, Food additives, Fuel, Household Supplies, Industrial Intermediates, Lubricants, Minerals, Metals and Heavy Metal, Personal and Healthcare Products, Pesticide, Plasticizer, Stationery, Tobacco Products
Chemical kingdomOrganic compounds
Chemical super-classHydrocarbons
Chemical classUnsaturated hydrocarbons
SMILESC=CC=C
InChIInChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChIKeyKAKZBPTYRLMSJV-UHFFFAOYSA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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