30581-59-0 Purity
19 wt% in H₂O
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Specification
The molecular formula is C7H9NO2.
The synonyms are 29513-26-6, 4,4-Dimethyl-2-vinyloxazol-5(4H)-one, 4,4-Dimethyl-2-vinyl-2-oxazolin-5-one, and 2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one.
The molecular weight is 139.15 g/mol.
The IUPAC name is 2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one.
The InChI is InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3.
The InChIKey is QKPKBBFSFQAMIY-UHFFFAOYSA-N.
The Canonical SMILES is CC1(C(=O)OC(=N1)C=C)C.
The CAS number is 29513-26-6.
The XLogP3-AA value is 1.
The topological polar surface area is 38.7Ų.