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79379-60-5 | 2(5H)-Furanone, 5-ethyl-3,4-dimethyl-
CAS No: 79379-60-5 Catalog No: AG005K73 MDL No:
Product Description
Catalog Number:
AG005K73
Chemical Name:
2(5H)-Furanone, 5-ethyl-3,4-dimethyl-
CAS Number:
79379-60-5
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
2-ethyl-3,4-dimethyl-2H-furan-5-one
InChI:
InChI=1S/C8H12O2/c1-4-7-5(2)6(3)8(9)10-7/h7H,4H2,1-3H3
InChI Key:
HVQFSDFJEPPHCF-UHFFFAOYSA-N
SMILES:
CCC1OC(=O)C(=C1C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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