Home Carboxys 3-(3-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

3-(3-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

CAS No.:
93002-09-6
Catalog Number:
AG00IHG9
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
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Product Description
Catalog Number:
AG00IHG9
Chemical Name:
3-(3-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CAS Number:
93002-09-6
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD07376085
IUPAC Name:
3-(3-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C12H11NO4/c1-7-10(12(14)15)11(13-17-7)8-4-3-5-9(6-8)16-2/h3-6H,1-2H3,(H,14,15)
InChI Key:
RLQZALMOGQHUFN-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1noc(c1C(=O)O)C
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/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