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1772-43-6 | Oxazole, 4,5-dihydro-2,4,4-trimethyl-
CAS No: 1772-43-6 Catalog No: AG002561 MDL No:MFCD00005301
Product Description
Catalog Number:
AG002561
Chemical Name:
Oxazole, 4,5-dihydro-2,4,4-trimethyl-
CAS Number:
1772-43-6
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
MDL Number:
MFCD00005301
IUPAC Name:
2,4,4-trimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C6H11NO/c1-5-7-6(2,3)4-8-5/h4H2,1-3H3
InChI Key:
HZRZMHNRCSIQFT-UHFFFAOYSA-N
SMILES:
CC1=NC(CO1)(C)C
EC Number:
217-201-6
NSC Number:
107049
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Decomposition of alkene adducts of thianthrene cation radical in nitrile solvents. Formation of alkyl-2-oxazolines and a new class of four-component products: 5-[(1-alkoxyalkylidene)ammonio]alkylthianthrenium diperchlorates. | The Journal of organic chemistry 20041224 |
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