7-methyloctanoic acid; 2-methylprop-2-enoic acid; hydrate

Systemtic Name: 7-methyloctanoic acid; 2-methylprop-2-enoic acid; hydrate Openeye Name: 7-methyloctanoic acid; 2-methylprop-2-enoic acid; hydrate CAS Name: 7-methyloctanoic acid; 2-methyl-2-propenoic acid; hydrate IUPAC Name: 7-methyloctanoic acid; 2-methylprop-2-enoic acid; hydrate Traditional Name: methacrylic acid; 7-methylcaprylic acid; hydrate Formula: C13H26O5 MolecularWeight: 262.34254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)O.CC(=C)C(=O)O.O

Isomeric SMILES

CC(C)CCCCCC(=O)O.CC(=C)C(=O)O.O

InChI

InChI=1S/C9H18O2.C4H6O2.H2O/c1-8(2)6-4-3-5-7-9(10)11;1-3(2)4(5)6;/h8H,3-7H2,1-2H3,(H,10,11);1H2,2H3,(H,5,6);1H2