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833472-27-8 | Methanone, (3-methylphenyl)[(2R,3S)-3-phenyloxiranyl]-
CAS No: 833472-27-8 Catalog No: AG004SEV MDL No:
Product Description
Catalog Number:
AG004SEV
Chemical Name:
Methanone, (3-methylphenyl)[(2R,3S)-3-phenyloxiranyl]-
CAS Number:
833472-27-8
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
(3-methylphenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone
InChI:
InChI=1S/C16H14O2/c1-11-6-5-9-13(10-11)14(17)16-15(18-16)12-7-3-2-4-8-12/h2-10,15-16H,1H3/t15-,16-/m0/s1
InChI Key:
SKXGEVROEIXVMY-HOTGVXAUSA-N
SMILES:
Cc1cccc(c1)C(=O)[C@@H]1O[C@H]1c1ccccc1
Properties
Complexity:
306
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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