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2950-43-8 | Sulfuric acid, monoazanyl ester
CAS No: 2950-43-8 Catalog No: AG002YKZ MDL No:MFCD00011604
Product Description
Catalog Number:
AG002YKZ
Chemical Name:
Sulfuric acid, monoazanyl ester
CAS Number:
2950-43-8
Molecular Formula:
H2NO4S-
Molecular Weight:
112.0852
MDL Number:
MFCD00011604
IUPAC Name:
amino hydrogen sulfate
InChI:
InChI=1S/H3NO4S/c1-5-6(2,3)4/h1H2,(H,2,3,4)
InChI Key:
DQPBABKTKYNPMH-UHFFFAOYSA-N
SMILES:
NOS(=O)(=O)[O-]
EC Number:
220-971-6
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.978g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
113.087g/mol
Monoisotopic Mass:
112.978g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
Literature
| Title | Journal |
|---|---|
| Mechanism of metal-mediated DNA damage induced by metabolites of carcinogenic 2-nitropropane. | Mutation research 20010808 |
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