CAS
627-20-3 Purity
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627-20-3 Purity
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Specification
The molecular formula is C6H10O2.
The molecular weight is 114.14 g/mol.
The IUPAC name is (2Z,4Z)-hexa-2,4-diene-1,6-diol.
The InChI is InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h1-4,7-8H,5-6H2/b3-1-,4-2-.
The InChIKey is UALGDSCLDIEGCQ-CCAGOZQPSA-N.
The canonical SMILES is C(C=CC=CCO)O.
The isomeric SMILES is C(O)/C=C\C=C/CO.
The CAS number is 63621-96-5.
The EC number is 626-110-4.
Yes, it is canonicalized.