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105359-79-3 | Oxazole, 2-[4-(1,1-dimethylethyl)phenyl]-4,5-dihydro-
CAS No: 105359-79-3 Catalog No: AG007WNQ MDL No:
Product Description
Catalog Number:
AG007WNQ
Chemical Name:
Oxazole, 2-[4-(1,1-dimethylethyl)phenyl]-4,5-dihydro-
CAS Number:
105359-79-3
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
2-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C13H17NO/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-7H,8-9H2,1-3H3
InChI Key:
MQSWQEJNJKRFBN-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C1=NCCO1)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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