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89205-08-3 | 5-(2,4-Dimethoxyphenyl);oxazole-4-carboxylic acid
CAS No: 89205-08-3 Catalog No: AG00446D MDL No:MFCD07376149
Product Description
Catalog Number:
AG00446D
Chemical Name:
5-(2,4-Dimethoxyphenyl);oxazole-4-carboxylic acid
CAS Number:
89205-08-3
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
MDL Number:
MFCD07376149
IUPAC Name:
5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C12H11NO5/c1-16-8-4-3-7(5-9(8)17-2)11-10(12(14)15)13-6-18-11/h3-6H,1-2H3,(H,14,15)
InChI Key:
ZMWIKEPCGCDJQP-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1c1ocnc1C(=O)O
Properties
Complexity:
298
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:
4
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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