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189017-48-9 | Methanone, [(2R,3S)-3-(4-methylphenyl)-2-oxiranyl]phenyl-
CAS No: 189017-48-9 Catalog No: AG002HQ3 MDL No:
Product Description
Catalog Number:
AG002HQ3
Chemical Name:
Methanone, [(2R,3S)-3-(4-methylphenyl)-2-oxiranyl]phenyl-
CAS Number:
189017-48-9
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]-phenylmethanone
InChI:
InChI=1S/C16H14O2/c1-11-7-9-13(10-8-11)15-16(18-15)14(17)12-5-3-2-4-6-12/h2-10,15-16H,1H3/t15-,16-/m0/s1
InChI Key:
PAAXZHAKZNCFBI-HOTGVXAUSA-N
SMILES:
Cc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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