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119718-89-7 | Benzeneacetonitrile, α-(acetyloxy)-, (αR)-
CAS No: 119718-89-7 Catalog No: AG000PI2 MDL No:MFCD00191699
Product Description
Catalog Number:
AG000PI2
Chemical Name:
Benzeneacetonitrile, α-(acetyloxy)-, (αR)-
CAS Number:
119718-89-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00191699
IUPAC Name:
[(R)-cyano(phenyl)methyl] acetate
InChI:
InChI=1S/C10H9NO2/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3/t10-/m0/s1
InChI Key:
MUXDFYRMYMEGCM-JTQLQIEISA-N
SMILES:
N#C[C@@H](c1ccccc1)OC(=O)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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