Home Other Building Blocks 3-{5,6-dimethyl-4-oxo-1H,4H-thieno[2,3-d]pyrimidin-2-yl}propanoic acid

3-{5,6-dimethyl-4-oxo-1H,4H-thieno[2,3-d]pyrimidin-2-yl}propanoic acid

CAS No.:
109164-46-7
Catalog Number:
AG019XJF
Molecular Formula:
C11H12N2O3S
Molecular Weight:
252.2896
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019XJF
Chemical Name:
3-{5,6-dimethyl-4-oxo-1H,4H-thieno[2,3-d]pyrimidin-2-yl}propanoic acid
CAS Number:
109164-46-7
Molecular Formula:
C11H12N2O3S
Molecular Weight:
252.2896
MDL Number:
MFCD13196184
IUPAC Name:
3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)propanoic acid
InChI:
InChI=1S/C11H12N2O3S/c1-5-6(2)17-11-9(5)10(16)12-7(13-11)3-4-8(14)15/h3-4H2,1-2H3,(H,14,15)(H,12,13,16)
InChI Key:
CQXGWYASXFNDEZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc(=O)c2c([nH]1)sc(c2C)C
Properties
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.288g/mol
Monoisotopic Mass:
252.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties