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64501-84-4 | Sodium 5-amino-2,4-dimethylbenzenesulfonate
CAS No: 64501-84-4 Catalog No: AG003FUA MDL No:MFCD00070550
Product Description
Catalog Number:
AG003FUA
Chemical Name:
Sodium 5-amino-2,4-dimethylbenzenesulfonate
CAS Number:
64501-84-4
Molecular Formula:
C8H10NNaO3S
Molecular Weight:
223.2247
MDL Number:
MFCD00070550
IUPAC Name:
sodium;5-amino-2,4-dimethylbenzenesulfonate
InChI:
InChI=1S/C8H11NO3S.Na/c1-5-3-6(2)8(4-7(5)9)13(10,11)12;/h3-4H,9H2,1-2H3,(H,10,11,12);/q;+1/p-1
InChI Key:
ZETYURDDFWHYDN-UHFFFAOYSA-M
SMILES:
Cc1cc(C)c(cc1S(=O)(=O)[O-])N.[Na+]
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.222g/mol
Monoisotopic Mass:
223.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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