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168618-43-7 | [1,1'-Biphenyl]-3-carboxylic acid, 2'-(methylthio)-
CAS No: 168618-43-7 Catalog No: AG001Y73 MDL No:MFCD15143489
Product Description
Catalog Number:
AG001Y73
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-(methylthio)-
CAS Number:
168618-43-7
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD15143489
IUPAC Name:
3-(2-methylsulfanylphenyl)benzoic acid
InChI:
InChI=1S/C14H12O2S/c1-17-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
BAFFLHNQRDYNJA-UHFFFAOYSA-N
SMILES:
CSc1ccccc1c1cccc(c1)C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.308g/mol
Monoisotopic Mass:
244.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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