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181038-14-2 | Oxazole, 2-(3,3-dimethyl-2-oxiranyl)-4,5-dihydro-4,4-dimethyl-
CAS No: 181038-14-2 Catalog No: AG0022N1 MDL No:
Product Description
Catalog Number:
AG0022N1
Chemical Name:
Oxazole, 2-(3,3-dimethyl-2-oxiranyl)-4,5-dihydro-4,4-dimethyl-
CAS Number:
181038-14-2
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
2-(3,3-dimethyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C9H15NO2/c1-8(2)5-11-7(10-8)6-9(3,4)12-6/h6H,5H2,1-4H3
InChI Key:
PQSBGZIDGXMDJT-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)C1OC1(C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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