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32318-42-6 | Benzoic acid,2-hydroxy-5-(methylthio)-
CAS No: 32318-42-6 Catalog No: AG007GSZ MDL No:MFCD00156978
Product Description
Catalog Number:
AG007GSZ
Chemical Name:
Benzoic acid,2-hydroxy-5-(methylthio)-
CAS Number:
32318-42-6
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
MDL Number:
MFCD00156978
IUPAC Name:
2-hydroxy-5-methylsulfanylbenzoic acid
InChI:
InChI=1S/C8H8O3S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChI Key:
DATDARDTUZHWMK-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)C(=O)O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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