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141887-22-1 | Benzoic acid, 2-hydroxy-4-[3-[(4-methylphenyl)sulfonyl]propoxy]-
CAS No: 141887-22-1 Catalog No: AG001HBT MDL No:
Product Description
Catalog Number:
AG001HBT
Chemical Name:
Benzoic acid, 2-hydroxy-4-[3-[(4-methylphenyl)sulfonyl]propoxy]-
CAS Number:
141887-22-1
Molecular Formula:
C17H18O6S
Molecular Weight:
350.3862
IUPAC Name:
2-hydroxy-4-[3-(4-methylphenyl)sulfonylpropoxy]benzoic acid
InChI:
InChI=1S/C17H18O6S/c1-12-3-6-14(7-4-12)24(21,22)10-2-9-23-13-5-8-15(17(19)20)16(18)11-13/h3-8,11,18H,2,9-10H2,1H3,(H,19,20)
InChI Key:
BFVIXPJSXHGXJK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CCCOc1ccc(c(c1)O)C(=O)O
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.082g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.385g/mol
Monoisotopic Mass:
350.082g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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