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17880-57-8 | 2-Pyridinecarboxylic acid, 5-ethynyl-
CAS No: 17880-57-8 Catalog No: AG0026BV MDL No:MFCD11520015
Product Description
Catalog Number:
AG0026BV
Chemical Name:
2-Pyridinecarboxylic acid, 5-ethynyl-
CAS Number:
17880-57-8
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD11520015
IUPAC Name:
5-ethynylpyridine-2-carboxylic acid
InChI:
InChI=1S/C8H5NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h1,3-5H,(H,10,11)
InChI Key:
ZCSPZVBBZKXFHF-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(nc1)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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