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88356-97-2 | 2-Propanone, 1-[4-(methylsulfonyl)phenyl]-
CAS No: 88356-97-2 Catalog No: AG0046HP MDL No:
Product Description
Catalog Number:
AG0046HP
Chemical Name:
2-Propanone, 1-[4-(methylsulfonyl)phenyl]-
CAS Number:
88356-97-2
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
1-(4-methylsulfonylphenyl)propan-2-one
InChI:
InChI=1S/C10H12O3S/c1-8(11)7-9-3-5-10(6-4-9)14(2,12)13/h3-6H,7H2,1-2H3
InChI Key:
YWQOZTXVLHNXQX-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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