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130059-81-3 | Methanone, (4-methoxyphenyl)[(2R,3S)-3-phenyl-2-oxiranyl]-
CAS No: 130059-81-3 Catalog No: AG000TYB MDL No:
Product Description
Catalog Number:
AG000TYB
Chemical Name:
Methanone, (4-methoxyphenyl)[(2R,3S)-3-phenyl-2-oxiranyl]-
CAS Number:
130059-81-3
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
(4-methoxyphenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone
InChI:
InChI=1S/C16H14O3/c1-18-13-9-7-11(8-10-13)14(17)16-15(19-16)12-5-3-2-4-6-12/h2-10,15-16H,1H3/t15-,16-/m0/s1
InChI Key:
GAMOPGGZIQWBEM-HOTGVXAUSA-N
SMILES:
COc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1
UNII:
F6YIL7HJTM
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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