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898760-05-9 | 2-(4-ETHYLBENZOYL)OXAZOLE
CAS No: 898760-05-9 Catalog No: AG006NWY MDL No:
Product Description
Catalog Number:
AG006NWY
Chemical Name:
2-(4-ETHYLBENZOYL)OXAZOLE
CAS Number:
898760-05-9
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
(4-ethylphenyl)-(1,3-oxazol-2-yl)methanone
InChI:
InChI=1S/C12H11NO2/c1-2-9-3-5-10(6-4-9)11(14)12-13-7-8-15-12/h3-8H,2H2,1H3
InChI Key:
RGPPIWUQJCYSKX-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)c1ncco1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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