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1256824-26-6 | 2-Pyridinecarboxylic acid, 6-ethynyl-
CAS No: 1256824-26-6 Catalog No: AG000OFS MDL No:MFCD18256138
Product Description
Catalog Number:
AG000OFS
Chemical Name:
2-Pyridinecarboxylic acid, 6-ethynyl-
CAS Number:
1256824-26-6
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD18256138
IUPAC Name:
6-ethynylpyridine-2-carboxylic acid
InChI:
InChI=1S/C8H5NO2/c1-2-6-4-3-5-7(9-6)8(10)11/h1,3-5H,(H,10,11)
InChI Key:
UANOXJFTBHFTNO-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(n1)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:
1
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