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1261964-62-8 | [1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-4'-(methylthio)-
CAS No: 1261964-62-8 Catalog No: AG000S9C MDL No:MFCD18320515
Product Description
Catalog Number:
AG000S9C
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-4'-(methylthio)-
CAS Number:
1261964-62-8
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
MDL Number:
MFCD18320515
IUPAC Name:
3-methyl-4-(4-methylsulfanylphenyl)benzoic acid
InChI:
InChI=1S/C15H14O2S/c1-10-9-12(15(16)17)5-8-14(10)11-3-6-13(18-2)7-4-11/h3-9H,1-2H3,(H,16,17)
InChI Key:
HBKOVFPUJPLUEW-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc(cc1C)C(=O)O
Properties
Complexity:
284
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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