CAS
951174-11-1 Purity
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951174-11-1 Purity
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Specification
The molecular formula is C4H8O.
It was created on 2017-10-28 and modified on 2023-12-30.
The IUPAC name is 1,2,2,3,3,4,4-heptadeuteriobutan-1-one.
The InChIKey is ZTQSAGDEMFDKMZ-VNEWRNQKSA-N.
It has 1 hydrogen bond acceptor.
The exact mass is 79.101452096 g/mol.
It has 2 rotatable bonds.
The topological polar surface area is 17.1 Ų.
It contains 5 heavy atoms.
Yes, it is a canonicalized compound.