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139517-23-0 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-(5-methyl-2-furanyl)-
CAS No: 139517-23-0 Catalog No: AG001B5Y MDL No:
Product Description
Catalog Number:
AG001B5Y
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(5-methyl-2-furanyl)-
CAS Number:
139517-23-0
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole
InChI:
InChI=1S/C10H13NO2/c1-7-4-5-8(13-7)9-11-10(2,3)6-12-9/h4-5H,6H2,1-3H3
InChI Key:
QLSDHNWBPCFJON-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)C1=NC(CO1)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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