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18781-76-5 | 4H-Pyran-4-one, 6-ethyl-2,3-dihydro-2-methyl-
CAS No: 18781-76-5 Catalog No: AG002GIP MDL No:
Product Description
Catalog Number:
AG002GIP
Chemical Name:
4H-Pyran-4-one, 6-ethyl-2,3-dihydro-2-methyl-
CAS Number:
18781-76-5
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
6-ethyl-2-methyl-2,3-dihydropyran-4-one
InChI:
InChI=1S/C8H12O2/c1-3-8-5-7(9)4-6(2)10-8/h5-6H,3-4H2,1-2H3
InChI Key:
NJADMLYOHSJLKV-UHFFFAOYSA-N
SMILES:
CCC1=CC(=O)CC(O1)C
Properties
Complexity:
170
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:
1.2
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