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Home Other Building Blocks M-TOLUENESULPHONIC ACID MONOHYDRATE, 97

M-TOLUENESULPHONIC ACID MONOHYDRATE, 97

CAS No.:
617-97-0
Catalog Number:
AG00EIYJ
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
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Product Description
Catalog Number:
AG00EIYJ
Chemical Name:
M-TOLUENESULPHONIC ACID MONOHYDRATE, 97
CAS Number:
617-97-0
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
MDL Number:
MFCD00051576
IUPAC Name:
3-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H8O3S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChI Key:
JDQDSEVNMTYMOC-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)S(=O)(=O)O
UNII:
07F29K368Y
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.198g/mol
Monoisotopic Mass:
172.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Synthesis of furo[3,2-b]pyrrole-5-carboxhydrazides and their Cu, Co and Ni complexes. TheScientificWorldJournal 20120101
4-[(4-Diethyl-amino-2-hydroxy-benzyl-idene)ammonio]-3-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20091101
4-(4-Diethyl-amino-2-hydroxy-benzyl-idene-ammonio)-3-methyl-benzene-sulfonate dihydrate. Acta crystallographica. Section E, Structure reports online 20091001
Properties