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139518-27-7 | Oxirane, 2-phenyl-3-[2-(phenylmethoxy)ethyl]-, cis- (9CI)
CAS No: 139518-27-7 Catalog No: AG001B5U MDL No:
Product Description
Catalog Number:
AG001B5U
Chemical Name:
Oxirane, 2-phenyl-3-[2-(phenylmethoxy)ethyl]-, cis- (9CI)
CAS Number:
139518-27-7
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
(2S,3R)-2-phenyl-3-(2-phenylmethoxyethyl)oxirane
InChI:
InChI=1S/C17H18O2/c1-3-7-14(8-4-1)13-18-12-11-16-17(19-16)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m1/s1
InChI Key:
NRGLVDAPRUCDDL-SJORKVTESA-N
SMILES:
c1ccc(cc1)COCC[C@H]1O[C@H]1c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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