1,2-Butadiene
PubChem CID: 11535
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| Compound Synonyms | 1,2-BUTADIENE, buta-1,2-diene, 590-19-2, Methylallene, Allene, methyl-, 1-Methylallene, Methylajoene, HSDB 5705, UNII-2AZI943A8R, 1,2-butadien, 2AZI943A8R, Buta-1,2-dien, EINECS 209-674-2, CH2=C=CHCH3, CH2=C=CH-CH3, 1,2-BUTADIENE [HSDB], DTXSID5027225, CHEBI:39480, EC 209-674-2, 1Methylallene, Allene, methyl, MFCD00039911, DTXCID707225, 1,2-Butadiene, >=97.0%, 1,2-Butadiene, >=99.0% (GC), B0856, NS00002160, Q161451 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | QNRMTGGDHLBXQZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 4.0 |
| Compound Name | 1,2-Butadiene |
| Description | Methylajoene, also known as 1,2-butadien or 1-methylallene, is a member of the class of compounds known as acyclic allenes. Acyclic allenes are acyclic hydrocarbons (and by extension, derivatives formed by substitution) having two double bonds from one carbon atom to two others. Methylajoene can be found in soft-necked garlic, which makes methylajoene a potential biomarker for the consumption of this food product. |
| Exact Mass | 54.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 54.047 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 38.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 54.09 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3 |
| Smiles | CC=C=C |
| Xlogp | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C4H6 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all