200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87456-40-4
87456-40-4 | 1-Propanone, 2-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]-1-phenyl-
CAS No: 87456-40-4 Catalog No: AG004HHB MDL No:
Product Description
Catalog Number:
AG004HHB
Chemical Name:
1-Propanone, 2-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]-1-phenyl-
CAS Number:
87456-40-4
Molecular Formula:
C17H18O4S
Molecular Weight:
318.3874
IUPAC Name:
(2-methyl-1-oxo-1-phenylpropan-2-yl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H18O4S/c1-13-9-11-15(12-10-13)22(19,20)21-17(2,3)16(18)14-7-5-4-6-8-14/h4-12H,1-3H3
InChI Key:
PQHRIORWLWVVEQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC(C(=O)c1ccccc1)(C)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.387g/mol
Monoisotopic Mass:
318.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.