6266-23-5 Purity
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Specification
The chemical formula of 1,4-Pentanediol is C5H12O2.
The molecular weight of 1,4-Pentanediol is 104.15 g/mol.
The IUPAC name of 1,4-Pentanediol is pentane-1,4-diol.
The CAS number of 1,4-Pentanediol is 626-95-9.
The InChIKey of 1,4-Pentanediol is GLOBUAZSRIOKLN-UHFFFAOYSA-N.
The XLogP3-AA value of 1,4-Pentanediol is 0.
There are 2 hydrogen bond donor counts in 1,4-Pentanediol.
There are 2 hydrogen bond acceptor counts in 1,4-Pentanediol.
There are 3 rotatable bond counts in 1,4-Pentanediol.
Yes, 1,4-Pentanediol is a canonicalized compound.