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About This Item
Linear Formula:
CH3C6H9(=O)
CAS Number:
Molecular Weight:
112.17
EC Number:
209-665-3
PubChem Substance ID:
UNSPSC Code:
12352100
Beilstein/REAXYS Number:
506746
MDL number:
grade
purum
assay
≥97.0% (GC)
refractive index
n20/D 1.4443 (lit.), n20/D 1.445
bp
169-171 °C (lit.)
density
0.914 g/mL at 25 °C (lit.)
SMILES string
CC1CCC(=O)CC1
InChI
1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChI key
VGVHNLRUAMRIEW-UHFFFAOYSA-N
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