41065-91-2
3-ETHYLHEXANOIC ACID
Name
3-ETHYLHEXANOIC ACID
Formula
C8 H16 O2
MolWeight
144.212
1Identification
【Name】
3-ETHYLHEXANOIC ACID
【CAS】
【MDL】
MFCD00049200
【English Synonyms】
【Formula】
C8 H16 O2
【MolWeight】
144.212
【Inchi】
InChI=1S/C8H16O2/c1-3-5-7(4-2)6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
【InChIKey】
InChIKey=UWWDUVVCVCAPNU-UHFFFAOYSA-N
【SMILES】
CCCC(CC)CC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ETHYLHEXANOIC ACID.cml
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