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898760-03-7 | 2-(4-TERT-BUTYLBENZOYL)OXAZOLE
CAS No: 898760-03-7 Catalog No: AG006NWZ MDL No:
Product Description
Catalog Number:
AG006NWZ
Chemical Name:
2-(4-TERT-BUTYLBENZOYL)OXAZOLE
CAS Number:
898760-03-7
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
(4-tert-butylphenyl)-(1,3-oxazol-2-yl)methanone
InChI:
InChI=1S/C14H15NO2/c1-14(2,3)11-6-4-10(5-7-11)12(16)13-15-8-9-17-13/h4-9H,1-3H3
InChI Key:
RYDNYBLBWYGSSI-UHFFFAOYSA-N
SMILES:
O=C(c1ncco1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
274
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:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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