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89205-14-1 | 4-Oxazolecarboxamide, 5-(3,4-dimethoxyphenyl)-
CAS No: 89205-14-1 Catalog No: AG0046AQ MDL No:
Product Description
Catalog Number:
AG0046AQ
Chemical Name:
4-Oxazolecarboxamide, 5-(3,4-dimethoxyphenyl)-
CAS Number:
89205-14-1
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
IUPAC Name:
5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
InChI:
InChI=1S/C12H12N2O4/c1-16-8-4-3-7(5-9(8)17-2)11-10(12(13)15)14-6-18-11/h3-6H,1-2H3,(H2,13,15)
InChI Key:
WKRYTKCPUZNUBY-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1ocnc1C(=O)N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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