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16192-07-7 | Benzene, 1-methyl-4-(2-propyn-1-ylsulfonyl)-
CAS No: 16192-07-7 Catalog No: AG001SIZ MDL No:MFCD01218624
Product Description
Catalog Number:
AG001SIZ
Chemical Name:
Benzene, 1-methyl-4-(2-propyn-1-ylsulfonyl)-
CAS Number:
16192-07-7
Molecular Formula:
C10H10O2S
Molecular Weight:
194.2502
MDL Number:
MFCD01218624
IUPAC Name:
1-methyl-4-prop-2-ynylsulfonylbenzene
InChI:
InChI=1S/C10H10O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3
InChI Key:
ZKABKQMDZXMAMW-UHFFFAOYSA-N
SMILES:
C#CCS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.248g/mol
Monoisotopic Mass:
194.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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