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130043-87-7 | Benzoic acid, 4-[4-(4-sulfophenoxy)phenoxy]-
CAS No: 130043-87-7 Catalog No: AG000TXM MDL No:
Product Description
Catalog Number:
AG000TXM
Chemical Name:
Benzoic acid, 4-[4-(4-sulfophenoxy)phenoxy]-
CAS Number:
130043-87-7
Molecular Formula:
C19H14O7S
Molecular Weight:
386.3753
IUPAC Name:
4-[4-(4-sulfophenoxy)phenoxy]benzoic acid
InChI:
InChI=1S/C19H14O7S/c20-19(21)13-1-3-14(4-2-13)25-15-5-7-16(8-6-15)26-17-9-11-18(12-10-17)27(22,23)24/h1-12H,(H,20,21)(H,22,23,24)
InChI Key:
XDCHKPZHQNOXCJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.046g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.374g/mol
Monoisotopic Mass:
386.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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