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113918-67-5 | Oxirane, 2-[[4-[(4-methylphenyl)sulfonyl]phenoxy]methyl]-
CAS No: 113918-67-5 Catalog No: AG000A2A MDL No:
Product Description
Catalog Number:
AG000A2A
Chemical Name:
Oxirane, 2-[[4-[(4-methylphenyl)sulfonyl]phenoxy]methyl]-
CAS Number:
113918-67-5
Molecular Formula:
C16H16O4S
Molecular Weight:
304.3608
IUPAC Name:
2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]oxirane
InChI:
InChI=1S/C16H16O4S/c1-12-2-6-15(7-3-12)21(17,18)16-8-4-13(5-9-16)19-10-14-11-20-14/h2-9,14H,10-11H2,1H3
InChI Key:
KGBSJLOYUNGCIQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OCC1CO1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.36g/mol
Monoisotopic Mass:
304.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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