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149587-50-8 | Thieno[2,3-b]pyrazine-6-carboxylic acid, 7-ethyl-1,2,3,4-tetrahydro-2,3-dioxo-
CAS No: 149587-50-8 Catalog No: AG001LU5 MDL No:
Product Description
Catalog Number:
AG001LU5
Chemical Name:
Thieno[2,3-b]pyrazine-6-carboxylic acid, 7-ethyl-1,2,3,4-tetrahydro-2,3-dioxo-
CAS Number:
149587-50-8
Molecular Formula:
C9H8N2O4S
Molecular Weight:
240.2358
IUPAC Name:
7-ethyl-2,3-dioxo-1,4-dihydrothieno[2,3-b]pyrazine-6-carboxylic acid
InChI:
InChI=1S/C9H8N2O4S/c1-2-3-4-8(16-5(3)9(14)15)11-7(13)6(12)10-4/h2H2,1H3,(H,10,12)(H,11,13)(H,14,15)
InChI Key:
BCNSMCIVBAPRAA-UHFFFAOYSA-N
SMILES:
CCc1c(sc2c1[nH]c(=O)c(=O)[nH]2)C(=O)O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
240.233g/mol
Monoisotopic Mass:
240.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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