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1192-22-9 | Oxirane, 3-ethyl-2,2-dimethyl-
CAS No: 1192-22-9 Catalog No: AG000IBU MDL No:
Product Description
Catalog Number:
AG000IBU
Chemical Name:
Oxirane, 3-ethyl-2,2-dimethyl-
CAS Number:
1192-22-9
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
IUPAC Name:
3-ethyl-2,2-dimethyloxirane
InChI:
InChI=1S/C6H12O/c1-4-5-6(2,3)7-5/h5H,4H2,1-3H3
InChI Key:
OZVWXRGXOYUQEJ-UHFFFAOYSA-N
SMILES:
CCC1OC1(C)C
Properties
Complexity:
76.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Authentication of fattening diet of Iberian pigs according to their volatile compounds profile from raw subcutaneous fat. | Analytical and bioanalytical chemistry 20110201 |
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