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148720-07-4 | Benzoic acid, 4-[(aminoiminomethyl)amino]-, methanesulfonate (1:1)
CAS No: 148720-07-4 Catalog No: AG001L55 MDL No:MFCD00191442
Product Description
Catalog Number:
AG001L55
Chemical Name:
Benzoic acid, 4-[(aminoiminomethyl)amino]-, methanesulfonate (1:1)
CAS Number:
148720-07-4
Molecular Formula:
C9H13N3O5S
Molecular Weight:
275.2816
MDL Number:
MFCD00191442
IUPAC Name:
4-(diaminomethylideneamino)benzoic acid;methanesulfonic acid
InChI:
InChI=1S/C8H9N3O2.CH4O3S/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;1-5(2,3)4/h1-4H,(H,12,13)(H4,9,10,11);1H3,(H,2,3,4)
InChI Key:
NGBBXMQQIAFCGF-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.NN=CNc1ccc(cc1)C(=O)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
275.279g/mol
Monoisotopic Mass:
275.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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