Home Carboxys 3-(Benzyloxy)isoxazole-5-carboxylic acid

3-(Benzyloxy)isoxazole-5-carboxylic acid

CAS No.:
2552-54-7
Catalog Number:
AG007MSL
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
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Product Description
Catalog Number:
AG007MSL
Chemical Name:
3-(Benzyloxy)isoxazole-5-carboxylic acid
CAS Number:
2552-54-7
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD11499028
IUPAC Name:
3-phenylmethoxy-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C11H9NO4/c13-11(14)9-6-10(12-16-9)15-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14)
InChI Key:
GNUCOZFGZRKXGK-UHFFFAOYSA-N
SMILES:
OC(=O)c1onc(c1)OCc1ccccc1
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties