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13789-27-0 | 1H-1,2,4-Triazole-5-sulfonic acid
CAS No: 13789-27-0 Catalog No: AG00141C MDL No:MFCD06435360
Product Description
Catalog Number:
AG00141C
Chemical Name:
1H-1,2,4-Triazole-5-sulfonic acid
CAS Number:
13789-27-0
Molecular Formula:
C2H3N3O3S
Molecular Weight:
149.1285
MDL Number:
MFCD06435360
IUPAC Name:
1H-1,2,4-triazole-5-sulfonic acid
InChI:
InChI=1S/C2H3N3O3S/c6-9(7,8)2-3-1-4-5-2/h1H,(H,3,4,5)(H,6,7,8)
InChI Key:
OWYWZFDZZRRXCR-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ncn[nH]1
EC Number:
237-447-8
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.99g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.124g/mol
Monoisotopic Mass:
148.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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