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About This Item
Empirical Formula (Hill Notation):
C4H6O
CAS Number:
Molecular Weight:
70.09
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
5238465
InChI
1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2/t4-/m1/s1
SMILES string
C=C[C@@H]1CO1
InChI key
GXBYFVGCMPJVJX-SCSAIBSYSA-N
assay
≥95.0% (sum of enantiomers, GC)
form
liquid
Quality Level
refractive index
n20/D 1.417
bp
66 °C (lit.)
density
0.870 g/mL at 20 °C (lit.)
storage temp.
2-8°C
Other Notes
Used to prepare stereodiversified scaffolds in library synthesis
signalword
Danger
hcodes
pcodes
Hazard Classifications
Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
-58.0 °F - closed cup
flash_point_c
-50 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Tiffany Malinky Gierasch et al.
Organic letters, 5(5), 621-624 (2003-02-28)
The syntheses of stereodiverse libraries of 12 and 19 are reported, where each asterisk represents an independently varied stereocenter. These scaffolds provide additional templates for investigations of geometric diversity in library syntheses. Libraries of these N-Fmoc-amino acids were further functionalized
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