Methyl cyclopentenolone hydrate

CAS	1396995-49-5
IUPAC Name	3-Methylcyclopentane-1,2-dione hydrate
Molecular Weight	130.14
Canonical SMILES	CC1CCC(=O)C1=O.O
InChI	InChI=1S/C6H8O2.H₂O/c1-4-2-3-5(7)6(4)8;/h4H,2-3H2,1H3;1H2
InChI Key	LDLRTLHIDXJSQW-UHFFFAOYSA-N
Melting Point	104-108 °C
Purity	95%+
Exact Mass	130.062994177
Monoisotopic Mass	130.062994177
Topological Polar Surface Area	35.1 Å²

For Research Use Only. Not for use in diagnostic or therapeutic procedures.

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