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898760-09-3 | 2-(4-BUTYLBENZOYL)OXAZOLE
CAS No: 898760-09-3 Catalog No: AG00GWLY MDL No:
Product Description
Catalog Number:
AG00GWLY
Chemical Name:
2-(4-BUTYLBENZOYL)OXAZOLE
CAS Number:
898760-09-3
IUPAC Name:
(4-butylphenyl)-(1,3-oxazol-2-yl)methanone
InChI:
InChI=1S/C14H15NO2/c1-2-3-4-11-5-7-12(8-6-11)13(16)14-15-9-10-17-14/h5-10H,2-4H2,1H3
InChI Key:
PKLKYELJADJUSZ-UHFFFAOYSA-N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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