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893736-70-4 | 4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylic acid
CAS No: 893736-70-4 Catalog No: AG003XAY MDL No:MFCD06802570
Product Description
Catalog Number:
AG003XAY
Chemical Name:
4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylic acid
CAS Number:
893736-70-4
Molecular Formula:
C14H12O4S
Molecular Weight:
276.3077
MDL Number:
MFCD06802570
IUPAC Name:
3-(4-methylsulfonylphenyl)benzoic acid
InChI:
InChI=1S/C14H12O4S/c1-19(17,18)13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
DCCBLTKXTWVRDZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc(cc1)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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