CAS
929-56-6 Purity
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929-56-6 Purity
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Specification
The molecular formula is C5H9OP.
The molecular weight is 116.10 g/mol.
The IUPAC name is 1-methyl-2,5-dihydro-1λ 5 -phosphole 1-oxide.
The InChI is InChI=1S/C5H9OP/c1-7(6)4-2-3-5-7/h2-3H,4-5H2,1H3.
The InChIKey is MQLQAXIVFGHSDE-UHFFFAOYSA-N.
The canonical SMILES is CP1(=O)CC=CC1.
The CAS number is 930-38-1.
The EC number is 213-217-2.
The XLogP3-AA value is -0.4.
Yes, it is a canonicalized compound.