Home Carboxys 5-Isoxazolecarboxylic acid, 3-[(4-methoxyphenyl)methoxy]-

5-Isoxazolecarboxylic acid, 3-[(4-methoxyphenyl)methoxy]-

CAS No.:
1463052-85-8
Catalog Number:
AG001DV9
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
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Product Description
Catalog Number:
AG001DV9
Chemical Name:
5-Isoxazolecarboxylic acid, 3-[(4-methoxyphenyl)methoxy]-
CAS Number:
1463052-85-8
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
MDL Number:
MFCD29918559
IUPAC Name:
3-[(4-methoxyphenyl)methoxy]-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C12H11NO5/c1-16-9-4-2-8(3-5-9)7-17-11-6-10(12(14)15)18-13-11/h2-6H,7H2,1H3,(H,14,15)
InChI Key:
UIMYDHSKYAJZRW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COc1noc(c1)C(=O)O
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.064g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.222g/mol
Monoisotopic Mass:
249.064g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties