Octanoic acid, 7-methyl-
Molecular Formula:
C
9
H
18
O
2
InChI:
InChI=1/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/f/h10H
InChIKey:
InChIKey=XZOYHFBNQHPJRQ-KZFATGLACX
SMILES:
CC(C)CCCCCC(O)=O
CAS number 693-19-6
Names:
Octanoic acid, 7-methyl-
7-methylcaprylic acid
7-methyloctanoic acid
7-methyl caprylic acid
Registries:
PubChem CID 33635
Beilstein =1752332
CAS 693-19-6 (from NIST)
ChEBI 37108
LIPID MAPS LMFA01020003
PubChem ID 10532936