99987-05-0 Purity
96%
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The molecular formula of 2-Hepten-4-ol is C7H14O.
The molecular weight of 2-Hepten-4-ol is 114.19 g/mol.
The IUPAC name of 2-Hepten-4-ol is (E)-hept-2-en-4-ol.
The InChI of 2-Hepten-4-ol is InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,5,7-8H,4,6H2,1-2H3/b5-3+.
The InChIKey of 2-Hepten-4-ol is DODCYMXUZOEOQF-HWKANZROSA-N.
The canonical SMILES of 2-Hepten-4-ol is CCCC(C=CC)O.
2-Hepten-4-ol has 1 hydrogen bond donor count.
2-Hepten-4-ol has 1 hydrogen bond acceptor count.
2-Hepten-4-ol has 3 rotatable bond counts.
Yes, 2-Hepten-4-ol is a canonicalized compound.