Home Other Building Blocks 4-(2-methoxypyridin-4-yl)-4-oxobutanoic acid

4-(2-methoxypyridin-4-yl)-4-oxobutanoic acid

CAS No.:
1797387-50-8
Catalog Number:
AG01AC08
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
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Product Description
Catalog Number:
AG01AC08
Chemical Name:
4-(2-methoxypyridin-4-yl)-4-oxobutanoic acid
CAS Number:
1797387-50-8
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD27920040
IUPAC Name:
4-(2-methoxypyridin-4-yl)-4-oxobutanoic acid
InChI:
InChI=1S/C10H11NO4/c1-15-9-6-7(4-5-11-9)8(12)2-3-10(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChI Key:
UKKHJVMMQKXCOS-UHFFFAOYSA-N
SMILES:
COc1nccc(c1)C(=O)CCC(=O)O
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties