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16734-97-7 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-(methylsulfonyl)-
CAS No: 16734-97-7 Catalog No: AG001XBF MDL No:
Product Description
Catalog Number:
AG001XBF
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-(methylsulfonyl)-
CAS Number:
16734-97-7
Molecular Formula:
C14H12O4S
Molecular Weight:
276.3077
IUPAC Name:
4-(3-methylsulfonylphenyl)benzoic acid
InChI:
InChI=1S/C14H12O4S/c1-19(17,18)13-4-2-3-12(9-13)10-5-7-11(8-6-10)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
RWAWRKUMDYQUNW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cccc(c1)S(=O)(=O)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.306g/mol
Monoisotopic Mass:
276.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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