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1379302-65-4 | 2-Pyridinecarboxylic acid, 6-ethynyl-, ethyl ester
CAS No: 1379302-65-4 Catalog No: AG001449 MDL No:MFCD20037583
Product Description
Catalog Number:
AG001449
Chemical Name:
2-Pyridinecarboxylic acid, 6-ethynyl-, ethyl ester
CAS Number:
1379302-65-4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD20037583
IUPAC Name:
ethyl 6-ethynylpyridine-2-carboxylate
InChI:
InChI=1S/C10H9NO2/c1-3-8-6-5-7-9(11-8)10(12)13-4-2/h1,5-7H,4H2,2H3
InChI Key:
VQRWDYUSCLOARS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(n1)C#C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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