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13608-28-1 | Oxazole,4,5-dihydro-4,4-dimethyl-2-(2-phenylethyl)-
CAS No: 13608-28-1 Catalog No: AG007MY0 MDL No:
Product Description
Catalog Number:
AG007MY0
Chemical Name:
Oxazole,4,5-dihydro-4,4-dimethyl-2-(2-phenylethyl)-
CAS Number:
13608-28-1
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
4,4-dimethyl-2-(2-phenylethyl)-5H-1,3-oxazole
InChI:
InChI=1S/C13H17NO/c1-13(2)10-15-12(14-13)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChI Key:
YTGPYAJWSKPZNW-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)CCc1ccccc1
NSC Number:
160545
Properties
Complexity:
239
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:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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