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: C₆H₁₂O₂
• Molecular weight: 116.1583
• IUPAC Standard InChI:
  • InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1
• IUPAC Standard InChIKey: OVBFMEVBMNZIBR-RXMQYKEDSA-N
• Connectivity:
• 2-d Mol File from the identifier
• Canonical atom numbers:
  Note: stereochemistry is currently not indicated in the items above.
• Stereoisomers:
  • Pentanoic acid, 2-methyl-
  • l-(-)-2-methylpentanoic acid

Contents of the identifier

Identifier version: 1S

Main section

• Formula: C6H12O2
• Connectivity: 1-3-4-5(2)6(7)8
• Hydrogen: 5H,3-4H2,1-2H3,(H,7,8)
• sp³ Stereo: 5-
• Stereo type: 1