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207291-88-1 | 1,3-Benzenedisulfonic acid, 4-formyl-, sodium salt, hydrate (1:2:?)
CAS No: 207291-88-1 Catalog No: AG002IYL MDL No:
Product Description
Catalog Number:
AG002IYL
Chemical Name:
1,3-Benzenedisulfonic acid, 4-formyl-, sodium salt, hydrate (1:2:?)
CAS Number:
207291-88-1
Molecular Formula:
C7H6Na2O8S2
Molecular Weight:
328.2273
IUPAC Name:
disodium;4-formylbenzene-1,3-disulfonate;hydrate
InChI:
InChI=1S/C7H6O7S2.2Na.H2O/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;;;/h1-4H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2
InChI Key:
YKJQVLWZGODFIH-UHFFFAOYSA-L
SMILES:
O=Cc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+]
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.93g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.217g/mol
Monoisotopic Mass:
327.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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