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89205-12-9 | 4-Oxazolecarboxamide, 5-(4-ethylphenyl)-
CAS No: 89205-12-9 Catalog No: AG0088SV MDL No:
Product Description
Catalog Number:
AG0088SV
Chemical Name:
4-Oxazolecarboxamide, 5-(4-ethylphenyl)-
CAS Number:
89205-12-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
5-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
InChI:
InChI=1S/C12H12N2O2/c1-2-8-3-5-9(6-4-8)11-10(12(13)15)14-7-16-11/h3-7H,2H2,1H3,(H2,13,15)
InChI Key:
DESVPIPCCMFTOP-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1ocnc1C(=O)N
Properties
Complexity:
249
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:
3
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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