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84702-70-5 | Oxirane, 2-(4-methoxyphenyl)-3-(4-methylphenyl)-, trans-
CAS No: 84702-70-5 Catalog No: AG004SNE MDL No:
Product Description
Catalog Number:
AG004SNE
Chemical Name:
Oxirane, 2-(4-methoxyphenyl)-3-(4-methylphenyl)-, trans-
CAS Number:
84702-70-5
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
IUPAC Name:
(2S,3S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)oxirane
InChI:
InChI=1S/C16H16O2/c1-11-3-5-12(6-4-11)15-16(18-15)13-7-9-14(17-2)10-8-13/h3-10,15-16H,1-2H3/t15-,16-/m0/s1
InChI Key:
NVIPUEUUVGZCQS-HOTGVXAUSA-N
SMILES:
COc1ccc(cc1)[C@@H]1O[C@H]1c1ccc(cc1)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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