Home Carboxys 3-Isoxazolecarboxylic acid, 5-(2-pyridinyl)-, methyl ester

3-Isoxazolecarboxylic acid, 5-(2-pyridinyl)-, methyl ester

CAS No.:
1375064-64-4
Catalog Number:
AG0013EV
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
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Product Description
Catalog Number:
AG0013EV
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(2-pyridinyl)-, methyl ester
CAS Number:
1375064-64-4
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD22192334
IUPAC Name:
methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C10H8N2O3/c1-14-10(13)8-6-9(15-12-8)7-4-2-3-5-11-7/h2-6H,1H3
InChI Key:
NWHVLEYEGZPCMN-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1ccccn1
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties