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149587-39-3 | Thieno[2,3-b]pyrazine-6-carboxylic acid, 1,2,3,4-tetrahydro-2,3-dioxo-7-propyl-
CAS No: 149587-39-3 Catalog No: AG001LU7 MDL No:
Product Description
Catalog Number:
AG001LU7
Chemical Name:
Thieno[2,3-b]pyrazine-6-carboxylic acid, 1,2,3,4-tetrahydro-2,3-dioxo-7-propyl-
CAS Number:
149587-39-3
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
IUPAC Name:
2,3-dioxo-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-6-carboxylic acid
InChI:
InChI=1S/C10H10N2O4S/c1-2-3-4-5-9(17-6(4)10(15)16)12-8(14)7(13)11-5/h2-3H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChI Key:
MJBXLTIRYZSOTB-UHFFFAOYSA-N
SMILES:
CCCc1c(sc2c1[nH]c(=O)c(=O)[nH]2)C(=O)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.26g/mol
Monoisotopic Mass:
254.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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