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72623-17-7 | Oxazole, 4,5-dihydro-2-(3-methoxy-2-methylphenyl)-4,4-dimethyl-
CAS No: 72623-17-7 Catalog No: AG0063H3 MDL No:
Product Description
Catalog Number:
AG0063H3
Chemical Name:
Oxazole, 4,5-dihydro-2-(3-methoxy-2-methylphenyl)-4,4-dimethyl-
CAS Number:
72623-17-7
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
2-(3-methoxy-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C13H17NO2/c1-9-10(6-5-7-11(9)15-4)12-14-13(2,3)8-16-12/h5-7H,8H2,1-4H3
InChI Key:
GRUIUBFSCLSRFY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C)C1=NC(CO1)(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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