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1196156-66-7 | 2-Pyridinecarboxylic acid, 3-ethynyl-, methyl ester
CAS No: 1196156-66-7 Catalog No: AG000PCL MDL No:MFCD13189769
Product Description
Catalog Number:
AG000PCL
Chemical Name:
2-Pyridinecarboxylic acid, 3-ethynyl-, methyl ester
CAS Number:
1196156-66-7
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD13189769
IUPAC Name:
methyl 3-ethynylpyridine-2-carboxylate
InChI:
InChI=1S/C9H7NO2/c1-3-7-5-4-6-10-8(7)9(11)12-2/h1,4-6H,2H3
InChI Key:
GXGRTSAWVKPINB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncccc1C#C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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