Home Other Building Blocks 2-hydroxy-2-methyl-3-{4-oxo-4H,5H-thieno[3,2-c]pyridin-5-yl}propanoic acid

2-hydroxy-2-methyl-3-{4-oxo-4H,5H-thieno[3,2-c]pyridin-5-yl}propanoic acid

CAS No.:
1708229-12-2
Catalog Number:
AG01BE2Q
Molecular Formula:
C11H11NO4S
Molecular Weight:
253.2743
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Product Description
Catalog Number:
AG01BE2Q
Chemical Name:
2-hydroxy-2-methyl-3-{4-oxo-4H,5H-thieno[3,2-c]pyridin-5-yl}propanoic acid
CAS Number:
1708229-12-2
Molecular Formula:
C11H11NO4S
Molecular Weight:
253.2743
MDL Number:
MFCD25326252
IUPAC Name:
2-hydroxy-2-methyl-3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
InChI:
InChI=1S/C11H11NO4S/c1-11(16,10(14)15)6-12-4-2-8-7(9(12)13)3-5-17-8/h2-5,16H,6H2,1H3,(H,14,15)
InChI Key:
YQRPWJPZGPIGIK-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)(Cn1ccc2c(c1=O)ccs2)O
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.041g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.272g/mol
Monoisotopic Mass:
253.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties