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116293-77-7 | Benzenesulfonic acid, 2-amino-4-(formylamino)-, sodium salt (1:1)
CAS No: 116293-77-7 Catalog No: AG000C4M MDL No:
Product Description
Catalog Number:
AG000C4M
Chemical Name:
Benzenesulfonic acid, 2-amino-4-(formylamino)-, sodium salt (1:1)
CAS Number:
116293-77-7
Molecular Formula:
C7H7N2NaO4S
Molecular Weight:
238.1963
IUPAC Name:
2-amino-4-formamidobenzenesulfonic acid
InChI:
InChI=1S/C7H8N2O4S/c8-6-3-5(9-4-10)1-2-7(6)14(11,12)13/h1-4H,8H2,(H,9,10)(H,11,12,13)
InChI Key:
PUTHGUDESZNGHV-UHFFFAOYSA-N
SMILES:
O=CNc1ccc(c(c1)N)S(=O)(=O)[O-].[Na+]
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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