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100059-07-2 | Butanoic acid, 4-[(4-methylphenyl)sulfinyl]-
CAS No: 100059-07-2 Catalog No: AG0000SO MDL No:
Product Description
Catalog Number:
AG0000SO
Chemical Name:
Butanoic acid, 4-[(4-methylphenyl)sulfinyl]-
CAS Number:
100059-07-2
Molecular Formula:
C11H14O3S
Molecular Weight:
226.2921
IUPAC Name:
4-(4-methylphenyl)sulfinylbutanoic acid
InChI:
InChI=1S/C11H14O3S/c1-9-4-6-10(7-5-9)15(14)8-2-3-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChI Key:
FRRPVSZMFIQQCX-UHFFFAOYSA-N
SMILES:
OC(=O)CCCS(=O)c1ccc(cc1)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.29g/mol
Monoisotopic Mass:
226.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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