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About This Item
Linear Formula:
C6H5CH(CH3)NCO
CAS Number:
Molecular Weight:
147.17
Beilstein:
3196930
MDL number:
product line
ChiraSelect™
Assay
≥99%
optical purity
ee: ≥99% (GLC)
refractive index
n20/D 1.513 (lit.)
bp
55-56 °C/2.5 mmHg (lit.)
density
1.045 g/mL at 20 °C (lit.)
SMILES string
C[C@@H](N=C=O)c1ccccc1
InChI
1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m1/s1
InChI key
JJSCUXAFAJEQGB-MRVPVSSYSA-N
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Legal Information
ChiraSelect is a trademark of Sigma-Aldrich Co. LLC
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