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5146-88-3 | 2-Ethyl-4,4-dimethyl-4,5-dihydrooxazole
CAS No: 5146-88-3 Catalog No: AG003H72 MDL No:
Product Description
Catalog Number:
AG003H72
Chemical Name:
2-Ethyl-4,4-dimethyl-4,5-dihydrooxazole
CAS Number:
5146-88-3
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
2-ethyl-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C7H13NO/c1-4-6-8-7(2,3)5-9-6/h4-5H2,1-3H3
InChI Key:
FGURMUFTHTVTAL-UHFFFAOYSA-N
SMILES:
CCC1=NC(CO1)(C)C
EC Number:
225-919-6
NSC Number:
308784
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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