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1184862-92-7

1184862-92-7 | 3-Pyridinecarboxylic acid, 6-(2-furanyl)-2-methyl-, methyl ester

CAS No: 1184862-92-7 Catalog No: AG000IVD MDL No:

Product Description

Catalog Number:
AG000IVD
Chemical Name:
3-Pyridinecarboxylic acid, 6-(2-furanyl)-2-methyl-, methyl ester
CAS Number:
1184862-92-7
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
methyl 6-(furan-2-yl)-2-methylpyridine-3-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-8-9(12(14)15-2)5-6-10(13-8)11-4-3-7-16-11/h3-7H,1-2H3
InChI Key:
YRBWJLSBZUPJCE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1C)c1ccco1

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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