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

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

CAS No.:
1211526-77-0
Catalog Number:
AG01BV1I
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
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Product Description
Catalog Number:
AG01BV1I
Chemical Name:
2-(6-cyanopyridin-3-yl)acetic acid
CAS Number:
1211526-77-0
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD18256030
IUPAC Name:
2-(6-cyanopyridin-3-yl)acetic acid
InChI:
InChI=1S/C8H6N2O2/c9-4-7-2-1-6(5-10-7)3-8(11)12/h1-2,5H,3H2,(H,11,12)
InChI Key:
DCIRALHNPJYYPS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cn1)CC(=O)O
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties