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70288-32-3 | Oxirane, 2-(4-methoxyphenyl)-3-phenyl-, cis-
CAS No: 70288-32-3 Catalog No: AG005KDI MDL No:
Product Description
Catalog Number:
AG005KDI
Chemical Name:
Oxirane, 2-(4-methoxyphenyl)-3-phenyl-, cis-
CAS Number:
70288-32-3
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
(2S,3R)-2-(4-methoxyphenyl)-3-phenyloxirane
InChI:
InChI=1S/C15H14O2/c1-16-13-9-7-12(8-10-13)15-14(17-15)11-5-3-2-4-6-11/h2-10,14-15H,1H3/t14-,15+/m1/s1
InChI Key:
ZKZNUVVMVYSOFM-CABCVRRESA-N
SMILES:
COc1ccc(cc1)[C@@H]1O[C@@H]1c1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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