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141870-10-2 | Benzoic acid, 2-hydroxy-4-[4-[(4-methylphenyl)sulfonyl]butoxy]-
CAS No: 141870-10-2 Catalog No: AG001HA1 MDL No:
Product Description
Catalog Number:
AG001HA1
Chemical Name:
Benzoic acid, 2-hydroxy-4-[4-[(4-methylphenyl)sulfonyl]butoxy]-
CAS Number:
141870-10-2
Molecular Formula:
C18H20O6S
Molecular Weight:
364.4128
IUPAC Name:
2-hydroxy-4-[4-(4-methylphenyl)sulfonylbutoxy]benzoic acid
InChI:
InChI=1S/C18H20O6S/c1-13-4-7-15(8-5-13)25(22,23)11-3-2-10-24-14-6-9-16(18(20)21)17(19)12-14/h4-9,12,19H,2-3,10-11H2,1H3,(H,20,21)
InChI Key:
WXIUQRLSNZSFDQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CCCCOc1ccc(c(c1)O)C(=O)O
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.412g/mol
Monoisotopic Mass:
364.098g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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