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149-45-1 | Sodium 4,5-dihydroxybenzene-1,3-disulfonate hydrate
CAS No: 149-45-1 Catalog No: AG0039M4 MDL No:MFCD00149531
Product Description
Catalog Number:
AG0039M4
Chemical Name:
Sodium 4,5-dihydroxybenzene-1,3-disulfonate hydrate
CAS Number:
149-45-1
Molecular Formula:
C6H6Na2O9S2
Molecular Weight:
332.2160
MDL Number:
MFCD00149531
IUPAC Name:
disodium;4,5-dihydroxybenzene-1,3-disulfonate;hydrate
InChI:
InChI=1S/C6H6O8S2.2Na.H2O/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2
InChI Key:
ZLRROLLKQDRDPI-UHFFFAOYSA-L
SMILES:
Oc1cc(cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+]
EC Number:
205-741-5
UNII:
KHT84Q5M4R
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.925g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
332.205g/mol
Monoisotopic Mass:
331.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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