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728918-92-1 | 4'-(Methylthio);-[1,1'-biphenyl]-3-carboxylic acid
CAS No: 728918-92-1 Catalog No: AG003K9K MDL No:MFCD04117399
Product Description
Catalog Number:
AG003K9K
Chemical Name:
4'-(Methylthio);-[1,1'-biphenyl]-3-carboxylic acid
CAS Number:
728918-92-1
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD04117399
IUPAC Name:
3-(4-methylsulfanylphenyl)benzoic acid
InChI:
InChI=1S/C14H12O2S/c1-17-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
BJBNXCLQJHPZDB-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1cccc(c1)C(=O)O
Properties
Complexity:
259
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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