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79894-55-6 | Benzene, [[(1,1-dimethylethoxy)ethynyl]sulfinyl]-
CAS No: 79894-55-6 Catalog No: AG0054WU MDL No:
Product Description
Catalog Number:
AG0054WU
Chemical Name:
Benzene, [[(1,1-dimethylethoxy)ethynyl]sulfinyl]-
CAS Number:
79894-55-6
Molecular Formula:
C12H14O2S
Molecular Weight:
222.3034
IUPAC Name:
2-[(2-methylpropan-2-yl)oxy]ethynylsulfinylbenzene
InChI:
InChI=1S/C12H14O2S/c1-12(2,3)14-9-10-15(13)11-7-5-4-6-8-11/h4-8H,1-3H3
InChI Key:
PRDMKTGRFLIPOZ-UHFFFAOYSA-N
SMILES:
CC(OC#CS(=O)c1ccccc1)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.302g/mol
Monoisotopic Mass:
222.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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