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: C8H12O4
- Molecular weight: 172.1785
- IUPAC Standard InChI:
- InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
- IUPAC Standard InChIKey: XBZSBBLNHFMTEB-UHFFFAOYSA-N
- Connectivity:
- 2-d Mol File from the identifier
- Canonical atom numbers:
Note: stereochemistry is currently not indicated in the items above. - Stereoisomers:
Contents of the identifier
Identifier version: 1S
Main section
- Formula: C8H12O4
- Connectivity: 9-7(10)5-2-1-3-6(4-5)8(11)12
- Hydrogen: 5-6H,1-4H2,(H,9,10)(H,11,12)