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1354923-70-8 | 3-(4-tert-butylphenyl)-1,2-oxazol-5-ol
CAS No: 1354923-70-8 Catalog No: AG00JSRJ MDL No:MFCD21334954
Product Description
Catalog Number:
AG00JSRJ
Chemical Name:
3-(4-tert-butylphenyl)-1,2-oxazol-5-ol
CAS Number:
1354923-70-8
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD21334954
IUPAC Name:
3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C13H15NO2/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(15)16-14-11/h4-8,14H,1-3H3
InChI Key:
LUXCLFWVHHUENI-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1noc(c1)O)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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