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31795-44-5 | Sodium 5-formylfuran-2-sulfonate
CAS No: 31795-44-5 Catalog No: AG003UBH MDL No:MFCD00003231
Product Description
Catalog Number:
AG003UBH
Chemical Name:
Sodium 5-formylfuran-2-sulfonate
CAS Number:
31795-44-5
Molecular Formula:
C5H3NaO5S
Molecular Weight:
198.1291
MDL Number:
MFCD00003231
IUPAC Name:
sodium;5-formylfuran-2-sulfonate
InChI:
InChI=1S/C5H4O5S.Na/c6-3-4-1-2-5(10-4)11(7,8)9;/h1-3H,(H,7,8,9);/q;+1/p-1
InChI Key:
ZTJAVDOZUQPVAV-UHFFFAOYSA-M
SMILES:
O=Cc1ccc(o1)S(=O)(=O)[O-].[Na+]
EC Number:
250-810-5
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.124g/mol
Monoisotopic Mass:
197.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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