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1229626-91-8 | 3-Oxo-3-(5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-propionic acid methyl ester
CAS No: 1229626-91-8 Catalog No: AG01F48J MDL No:
Product Description
Catalog Number:
AG01F48J
Chemical Name:
3-Oxo-3-(5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-propionic acid methyl ester
CAS Number:
1229626-91-8
Molecular Formula:
C10H8N2O4S
Molecular Weight:
252.2465
IUPAC Name:
methyl 3-oxo-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanoate
InChI:
InChI=1S/C10H8N2O4S/c1-16-8(14)4-7(13)6-5-11-10-12(9(6)15)2-3-17-10/h2-3,5H,4H2,1H3
InChI Key:
KTNFODZIFGQZTQ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1cnc2n(c1=O)ccs2
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.244g/mol
Monoisotopic Mass:
252.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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