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149587-45-1 | Thieno[2,3-b]pyrazine-6-carboxylic acid, 1,2,3,4-tetrahydro-7-methyl-2,3-dioxo-
CAS No: 149587-45-1 Catalog No: AG001LU6 MDL No:
Product Description
Catalog Number:
AG001LU6
Chemical Name:
Thieno[2,3-b]pyrazine-6-carboxylic acid, 1,2,3,4-tetrahydro-7-methyl-2,3-dioxo-
CAS Number:
149587-45-1
Molecular Formula:
C8H6N2O4S
Molecular Weight:
226.2092
IUPAC Name:
7-methyl-2,3-dioxo-1,4-dihydrothieno[2,3-b]pyrazine-6-carboxylic acid
InChI:
InChI=1S/C8H6N2O4S/c1-2-3-7(15-4(2)8(13)14)10-6(12)5(11)9-3/h1H3,(H,9,11)(H,10,12)(H,13,14)
InChI Key:
MNDUWRWXJGWMNT-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1C)[nH]c(=O)c(=O)[nH]2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.206g/mol
Monoisotopic Mass:
226.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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