Home Carboxys methyl 5-(4-hydroxyphenyl)isoxazole-3-carboxylate

methyl 5-(4-hydroxyphenyl)isoxazole-3-carboxylate

CAS No.:
60640-71-3
Catalog Number:
AG003RWM
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
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Product Description
Catalog Number:
AG003RWM
Chemical Name:
methyl 5-(4-hydroxyphenyl)isoxazole-3-carboxylate
CAS Number:
60640-71-3
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD08106871
IUPAC Name:
methyl 5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C11H9NO4/c1-15-11(14)9-6-10(16-12-9)7-2-4-8(13)5-3-7/h2-6,13H,1H3
InChI Key:
AZJBPTJJWQRQPF-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1ccc(cc1)O
Properties
Complexity:
250  
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:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties