Home Carboxys 3-Pyridinecarboxylic acid, 6-ethynyl- (9CI)

3-Pyridinecarboxylic acid, 6-ethynyl- (9CI)

CAS No.:
450368-21-5
Catalog Number:
AG00E64T
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
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Product Description
Catalog Number:
AG00E64T
Chemical Name:
3-Pyridinecarboxylic acid, 6-ethynyl- (9CI)
CAS Number:
450368-21-5
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD11109685
IUPAC Name:
6-ethynylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H5NO2/c1-2-7-4-3-6(5-9-7)8(10)11/h1,3-5H,(H,10,11)
InChI Key:
YILQLEDPZCOECZ-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cn1)C(=O)O
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties