CAS
3851-22-7 Purity
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3851-22-7 Purity
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Specification
The molecular formula is C7H12O2.
The molecular weight is 128.17 g/mol.
Some synonyms include 4-(HYDROXYMETHYL)CYCLOHEXANONE, 38580-68-6, 4-(Hydroxymethyl)cyclohexan-1-one, and MFCD08056334.
The IUPAC name is 4-(hydroxymethyl)cyclohexan-1-one.
The Canonical SMILES is C1CC(=O)CCC1CO.
It has 1 hydrogen bond donor count.
The topological polar surface area is 37.3 Å2.
No, it has 0 defined atom stereocenter count.
The complexity is 99.5.
Yes, it is considered a canonicalized compound.