Home Carboxys 3-(pyridin-2-yl)-4,5-dihydroisoxazole-5-carboxylic acid

3-(pyridin-2-yl)-4,5-dihydroisoxazole-5-carboxylic acid

CAS No.:
396726-64-0
Catalog Number:
AG01BIPM
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
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Product Description
Catalog Number:
AG01BIPM
Chemical Name:
3-(pyridin-2-yl)-4,5-dihydroisoxazole-5-carboxylic acid
CAS Number:
396726-64-0
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD00853389
IUPAC Name:
3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c12-9(13)8-5-7(11-14-8)6-3-1-2-4-10-6/h1-4,8H,5H2,(H,12,13)
InChI Key:
RKEQTVJMWSCNBP-UHFFFAOYSA-N
SMILES:
OC(=O)C1ON=C(C1)c1ccccn1
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties