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

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

CAS No.:
950029-05-7
Catalog Number:
AG019PI7
Molecular Formula:
C9H8N2O3S
Molecular Weight:
224.2364
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Product Description
Catalog Number:
AG019PI7
Chemical Name:
3-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}propanoic acid
CAS Number:
950029-05-7
Molecular Formula:
C9H8N2O3S
Molecular Weight:
224.2364
MDL Number:
MFCD09802014
IUPAC Name:
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoic acid
InChI:
InChI=1S/C9H8N2O3S/c12-7(13)1-3-11-5-10-8-6(9(11)14)2-4-15-8/h2,4-5H,1,3H2,(H,12,13)
InChI Key:
NUBXMHYBTKAZCZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1cnc2c(c1=O)ccs2
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.026g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.234g/mol
Monoisotopic Mass:
224.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties