Home Other Building Blocks 2-(5-METHOXY-2-METHYL-4-OXO-1,4-DIHYDROPYRIDIN-1-YL)ACETIC ACID

2-(5-METHOXY-2-METHYL-4-OXO-1,4-DIHYDROPYRIDIN-1-YL)ACETIC ACID

CAS No.:
856857-43-7
Catalog Number:
AG01DWQ6
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
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Product Description
Catalog Number:
AG01DWQ6
Chemical Name:
2-(5-METHOXY-2-METHYL-4-OXO-1,4-DIHYDROPYRIDIN-1-YL)ACETIC ACID
CAS Number:
856857-43-7
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD20647022
IUPAC Name:
2-(5-methoxy-2-methyl-4-oxopyridin-1-yl)acetic acid
InChI:
InChI=1S/C9H11NO4/c1-6-3-7(11)8(14-2)4-10(6)5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChI Key:
BXSTTZSSJUWBRE-UHFFFAOYSA-N
SMILES:
COc1cn(CC(=O)O)c(cc1=O)C
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties