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128950-14-1 | Benzoic acid, 3-[(4-methoxyphenyl)thio]-
CAS No: 128950-14-1 Catalog No: AG000YON MDL No:
Product Description
Catalog Number:
AG000YON
Chemical Name:
Benzoic acid, 3-[(4-methoxyphenyl)thio]-
CAS Number:
128950-14-1
Molecular Formula:
C14H12O3S
Molecular Weight:
260.3083
IUPAC Name:
3-(4-methoxyphenyl)sulfanylbenzoic acid
InChI:
InChI=1S/C14H12O3S/c1-17-11-5-7-12(8-6-11)18-13-4-2-3-10(9-13)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
GDTFNFKJJCBOJF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1cccc(c1)C(=O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.307g/mol
Monoisotopic Mass:
260.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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