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70788-40-8 | sodium; 2,3-dimethylbenzenesulfonate; formaldehyde
CAS No: 70788-40-8 Catalog No: AG0064G2 MDL No:
Product Description
Catalog Number:
AG0064G2
Chemical Name:
sodium; 2,3-dimethylbenzenesulfonate; formaldehyde
CAS Number:
70788-40-8
Molecular Formula:
C9H11NaO4S
Molecular Weight:
238.2360
IUPAC Name:
sodium;2,3-dimethylbenzenesulfonate;formaldehyde
InChI:
InChI=1S/C8H10O3S.CH2O.Na/c1-6-4-3-5-8(7(6)2)12(9,10)11;1-2;/h3-5H,1-2H3,(H,9,10,11);1H2;/q;;+1/p-1
InChI Key:
BHYQBHBPFLEHDG-UHFFFAOYSA-M
SMILES:
Cc1cccc(c1C)S(=O)(=O)[O-].C=O.[Na+]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.233g/mol
Monoisotopic Mass:
238.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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