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82864-16-2 | Methanone, [(2R,3S)-3-(4-methoxyphenyl)oxiranyl]phenyl-
CAS No: 82864-16-2 Catalog No: AG004WJR MDL No:
Product Description
Catalog Number:
AG004WJR
Chemical Name:
Methanone, [(2R,3S)-3-(4-methoxyphenyl)oxiranyl]phenyl-
CAS Number:
82864-16-2
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
[(2R,3S)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
InChI:
InChI=1S/C16H14O3/c1-18-13-9-7-12(8-10-13)15-16(19-15)14(17)11-5-3-2-4-6-11/h2-10,15-16H,1H3/t15-,16-/m0/s1
InChI Key:
OJNVQVXKXBOSSW-HOTGVXAUSA-N
SMILES:
COc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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