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161771-75-1 | 3H-Thiazolo[3,4-a]pyrazine-6-propanoic acid, hexahydro-5,8-dioxo-
CAS No: 161771-75-1 Catalog No: AG001VV9 MDL No:
Product Description
Catalog Number:
AG001VV9
Chemical Name:
3H-Thiazolo[3,4-a]pyrazine-6-propanoic acid, hexahydro-5,8-dioxo-
CAS Number:
161771-75-1
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
IUPAC Name:
3-(5,8-dioxo-3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-6-yl)propanoic acid
InChI:
InChI=1S/C9H12N2O4S/c12-7(13)2-1-5-9(15)11-4-16-3-6(11)8(14)10-5/h5-6H,1-4H2,(H,10,14)(H,12,13)
InChI Key:
SIHJCGBZTATYLB-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1NC(=O)C2N(C1=O)CSC2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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