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698-10-2 | 5-Ethyl-3-hydroxy-4-methylfuran-2(5H)-one
CAS No: 698-10-2 Catalog No: AG005HO4 MDL No:MFCD00036673
Product Description
Catalog Number:
AG005HO4
Chemical Name:
5-Ethyl-3-hydroxy-4-methylfuran-2(5H)-one
CAS Number:
698-10-2
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD00036673
IUPAC Name:
2-ethyl-4-hydroxy-3-methyl-2H-furan-5-one
InChI:
InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h5,8H,3H2,1-2H3
InChI Key:
IUFQZPBIRYFPFD-UHFFFAOYSA-N
SMILES:
CCC1OC(=O)C(=C1C)O
EC Number:
211-811-6
FEMA Number:
3153
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Main odorants in Jura flor-sherry wines. Relative contributions of sotolon, abhexon, and theaspirane-derived compounds. | Journal of agricultural and food chemistry 20120111 |
| Fate of key odorants in Sauternes wines through aging. | Journal of agricultural and food chemistry 20090923 |
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