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89205-11-8 | 4-Oxazolecarboxamide, 5-(2,4-dimethylphenyl)-
CAS No: 89205-11-8 Catalog No: AG00446A MDL No:
Product Description
Catalog Number:
AG00446A
Chemical Name:
4-Oxazolecarboxamide, 5-(2,4-dimethylphenyl)-
CAS Number:
89205-11-8
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
5-(2,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
InChI:
InChI=1S/C12H12N2O2/c1-7-3-4-9(8(2)5-7)11-10(12(13)15)14-6-16-11/h3-6H,1-2H3,(H2,13,15)
InChI Key:
WAYGOBKPKYFBCH-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)c1ocnc1C(=O)N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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