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827017-78-7 | 2(3H)-Furanone, 3,3-diethyldihydro-5-[2-(1H-imidazol-1-yl)ethyl]-
CAS No: 827017-78-7 Catalog No: AG008JS4 MDL No:
Product Description
Catalog Number:
AG008JS4
Chemical Name:
2(3H)-Furanone, 3,3-diethyldihydro-5-[2-(1H-imidazol-1-yl)ethyl]-
CAS Number:
827017-78-7
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
IUPAC Name:
3,3-diethyl-5-(2-imidazol-1-ylethyl)oxolan-2-one
InChI:
InChI=1S/C13H20N2O2/c1-3-13(4-2)9-11(17-12(13)16)5-7-15-8-6-14-10-15/h6,8,10-11H,3-5,7,9H2,1-2H3
InChI Key:
CFDBOENTNWKKGZ-UHFFFAOYSA-N
SMILES:
CCC1(CC)CC(OC1=O)CCn1cncc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.315g/mol
Monoisotopic Mass:
236.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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