914287-71-1 Purity
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The molecular formula of 2-Cyclobuten-1-one,4,4-dichloro-3-ethyl-2-methyl is C7H8Cl2O.
The molecular weight of 2-Cyclobuten-1-one,4,4-dichloro-3-ethyl-2-methyl is 179.04 g/mol.
The IUPAC name of 2-Cyclobuten-1-one,4,4-dichloro-3-ethyl-2-methyl is 4,4-dichloro-3-ethyl-2-methylcyclobut-2-en-1-one.
The InChI of 2-Cyclobuten-1-one,4,4-dichloro-3-ethyl-2-methyl is InChI=1S/C7H8Cl2O/c1-3-5-4(2)6(10)7(5,8)9/h3H2,1-2H3.
The InChIKey of 2-Cyclobuten-1-one,4,4-dichloro-3-ethyl-2-methyl is PSGDYELTXBBUGH-UHFFFAOYSA-N.
The canonical SMILES of 2-Cyclobuten-1-one,4,4-dichloro-3-ethyl-2-methyl is CCC1=C(C(=O)C1(Cl)Cl)C.
The XLogP3-AA value of 2-Cyclobuten-1-one,4,4-dichloro-3-ethyl-2-methyl is 2.2.
2-Cyclobuten-1-one,4,4-dichloro-3-ethyl-2-methyl has 0 hydrogen bond donor counts.
2-Cyclobuten-1-one,4,4-dichloro-3-ethyl-2-methyl has 1 hydrogen bond acceptor count.
2-Cyclobuten-1-one,4,4-dichloro-3-ethyl-2-methyl has 1 rotatable bond count.