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1157773-44-8 | Oxirane, 2-[[3-(methylsulfonyl)phenoxy]methyl]-
CAS No: 1157773-44-8 Catalog No: AG000GUD MDL No:
Product Description
Catalog Number:
AG000GUD
Chemical Name:
Oxirane, 2-[[3-(methylsulfonyl)phenoxy]methyl]-
CAS Number:
1157773-44-8
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
IUPAC Name:
2-[(3-methylsulfonylphenoxy)methyl]oxirane
InChI:
InChI=1S/C10H12O4S/c1-15(11,12)10-4-2-3-8(5-10)13-6-9-7-14-9/h2-5,9H,6-7H2,1H3
InChI Key:
IUUZMZHMHDVICT-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1cccc(c1)OCC1CO1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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