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1192547-93-5 | [1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-2'-(methylthio)-
CAS No: 1192547-93-5 Catalog No: AG000P6J MDL No:MFCD18320453
Product Description
Catalog Number:
AG000P6J
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-2'-(methylthio)-
CAS Number:
1192547-93-5
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
MDL Number:
MFCD18320453
IUPAC Name:
3-methyl-4-(2-methylsulfanylphenyl)benzoic acid
InChI:
InChI=1S/C15H14O2S/c1-10-9-11(15(16)17)7-8-12(10)13-5-3-4-6-14(13)18-2/h3-9H,1-2H3,(H,16,17)
InChI Key:
JMUPUJNJABNZOW-UHFFFAOYSA-N
SMILES:
CSc1ccccc1c1ccc(cc1C)C(=O)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.335g/mol
Monoisotopic Mass:
258.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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