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About This Item
Linear Formula:
CH3CH2CH(CH3)CH2CO2H
CAS Number:
Molecular Weight:
116.16
EC Number:
203-297-7
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1720696
MDL number:
assay
~95% (GC)
refractive index
n20/D 1.416 (lit.)
bp
196-198 °C (lit.)
density
0.93 g/mL at 25 °C (lit.)
SMILES string
CCC(C)CC(O)=O
InChI
1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChI key
IGIDLTISMCAULB-UHFFFAOYSA-N
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W E Mitch et al.
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