Home Other Building Blocks 2-(5-cyanopyridin-3-yl)acetic acid

2-(5-cyanopyridin-3-yl)acetic acid

CAS No.:
1211531-62-2
Catalog Number:
AG01BI0W
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
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Product Description
Catalog Number:
AG01BI0W
Chemical Name:
2-(5-cyanopyridin-3-yl)acetic acid
CAS Number:
1211531-62-2
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD18256028
IUPAC Name:
2-(5-cyanopyridin-3-yl)acetic acid
InChI:
InChI=1S/C8H6N2O2/c9-3-7-1-6(2-8(11)12)4-10-5-7/h1,4-5H,2H2,(H,11,12)
InChI Key:
ULWWGVLOKJHIAH-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(cnc1)C#N
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
Properties