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89032-83-7 | 1,2,5-Thiadiazole-3-carboxylicacid, 4-methoxy-
CAS No: 89032-83-7 Catalog No: AG0042Q3 MDL No:
Product Description
Catalog Number:
AG0042Q3
Chemical Name:
1,2,5-Thiadiazole-3-carboxylicacid, 4-methoxy-
CAS Number:
89032-83-7
Molecular Formula:
C4H4N2O3S
Molecular Weight:
160.1512
IUPAC Name:
4-methoxy-1,2,5-thiadiazole-3-carboxylic acid
InChI:
InChI=1S/C4H4N2O3S/c1-9-3-2(4(7)8)5-10-6-3/h1H3,(H,7,8)
InChI Key:
BIGFTKUERGTAPT-UHFFFAOYSA-N
SMILES:
COc1nsnc1C(=O)O
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.994g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.147g/mol
Monoisotopic Mass:
159.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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