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878047-32-6 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-phenylethyl)-
CAS No: 878047-32-6 Catalog No: AG004K4S MDL No:
Product Description
Catalog Number:
AG004K4S
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-phenylethyl)-
CAS Number:
878047-32-6
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole
InChI:
InChI=1S/C13H17NO/c1-10(11-7-5-4-6-8-11)12-14-13(2,3)9-15-12/h4-8,10H,9H2,1-3H3
InChI Key:
XHYZDCBNHJUBBT-UHFFFAOYSA-N
SMILES:
CC(C1=NC(CO1)(C)C)c1ccccc1
Properties
Complexity:
251
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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