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74758-55-7 | [1,1'-Biphenyl]-4-sulfonicacid, 4'-(hydroxymethyl)-
CAS No: 74758-55-7 Catalog No: AG005HAG MDL No:
Product Description
Catalog Number:
AG005HAG
Chemical Name:
[1,1'-Biphenyl]-4-sulfonicacid, 4'-(hydroxymethyl)-
CAS Number:
74758-55-7
Molecular Formula:
C13H12O4S
Molecular Weight:
264.2970
IUPAC Name:
4-[4-(hydroxymethyl)phenyl]benzenesulfonic acid
InChI:
InChI=1S/C13H12O4S/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)18(15,16)17/h1-8,14H,9H2,(H,15,16,17)
InChI Key:
MXJFARPIWAGEAP-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.295g/mol
Monoisotopic Mass:
264.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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