CAS
1794-48-5 Purity
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1794-48-5 Purity
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Specification
The molecular formula is C5H7I.
The molecular weight is 194.01 g/mol.
The IUPAC name is 5-iodopent-1-yne.
The CAS number is 2468-55-5.
The InChI is InChI=1S/C5H7I/c1-2-3-4-5-6/h1H,3-5H2.
The InChIKey is SEHFYZRHGUPLSY-UHFFFAOYSA-N.
The Canonical SMILES is C#CCCCI.
The XLogP3-AA value is 2.6.
It doesn't have any hydrogen bond donor count.
It has 2 rotatable bond counts.