Home Other Building Blocks 2-(6-carbamoylpyridin-3-yl)acetic acid

2-(6-carbamoylpyridin-3-yl)acetic acid

CAS No.:
2091244-29-8
Catalog Number:
AG01BXQ7
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
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Product Description
Catalog Number:
AG01BXQ7
Chemical Name:
2-(6-carbamoylpyridin-3-yl)acetic acid
CAS Number:
2091244-29-8
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD30685546
IUPAC Name:
2-(6-carbamoylpyridin-3-yl)acetic acid
InChI:
InChI=1S/C8H8N2O3/c9-8(13)6-2-1-5(4-10-6)3-7(11)12/h1-2,4H,3H2,(H2,9,13)(H,11,12)
InChI Key:
KYMSKWIIDCFTAL-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(nc1)C(=O)N
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties