Information from the InChI

There are no matching entries in the database for this IUPAC International Chemical Identifier. The following information was obtained from the identifier.

• Formula: C₇H₁₂O
• Molecular weight: 112.1696
• IUPAC Standard InChI:
  • InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3+,6-5
• IUPAC Standard InChIKey: MDRZSADXFOPYOC-BSNNULCXSA-N
• Connectivity:
• 2-d Mol File from the identifier
• Canonical atom numbers:
  Note: stereochemistry is currently not indicated in the items above.
• Stereoisomers:
  • 2,4-Heptadien-1-ol, (E,E)-
  • 2,4-heptadien-1-ol

Contents of the identifier

Identifier version: 1S

Main section

• Formula: C7H12O
• Connectivity: 1-2-3-4-5-6-7-8
• Hydrogen: 3-6,8H,2,7H2,1H3
• Double bond stereo: 4-3+,6-5