CAS
4050-45-7 Purity
96%
4050-45-7 Purity
96%
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Specification
The molecular formula is C9H14.
The molecular weight is 122.21 g/mol.
The IUPAC name is 1,2,3,4-tetramethylcyclopenta-1,3-diene.
The InChI is InChI=1S/C9H14/c1-6-5-7(2)9(4)8(6)3/h5H2,1-4H3.
The InChIKey is VNPQQEYMXYCAEZ-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C(=C(C1)C)C)C.
The CAS number is 4249-10-9.
The EC number is 628-879-1.
The DSSTox Substance ID is DTXSID90195277.
The XLogP3-AA value is 1.5.