Home Other Building Blocks 3-Cyanoisonicotinic acid

3-Cyanoisonicotinic acid

CAS No.:
1060802-59-6
Catalog Number:
AG0084GB
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
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Product Description
Catalog Number:
AG0084GB
Chemical Name:
3-Cyanoisonicotinic acid
CAS Number:
1060802-59-6
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
MDL Number:
MFCD13189083
IUPAC Name:
3-cyanopyridine-4-carboxylic acid
InChI:
InChI=1S/C7H4N2O2/c8-3-5-4-9-2-1-6(5)7(10)11/h1-2,4H,(H,10,11)
InChI Key:
QFWSFAGTEUOLMZ-UHFFFAOYSA-N
SMILES:
N#Cc1cnccc1C(=O)O
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties