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73671-79-1 | (S)-(+)-1-(1-Naphthyl)ethyl isocyanate, 95%
CAS No: 73671-79-1 Catalog No: AG003CFE MDL No:MFCD00064181
Product Description
Catalog Number:
AG003CFE
Chemical Name:
(S)-(+)-1-(1-Naphthyl)ethyl isocyanate, 95%
CAS Number:
73671-79-1
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD00064181
IUPAC Name:
1-[(1S)-1-isocyanatoethyl]naphthalene
InChI:
InChI=1S/C13H11NO/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3/t10-/m0/s1
InChI Key:
GONOHGQPZFXJOJ-JTQLQIEISA-N
SMILES:
O=C=N[C@H](c1cccc2c1cccc2)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Original normal-phase high-performance liquid chromatographic separation of monoacylglycerol classes from extra virgin olive oil triacylglycerols for their stereospecific analysis. | Journal of AOAC International 20070101 |
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