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77900-57-3 | 2(5H)-Furanone, 3-acetyl-4,5-dibutyl-
CAS No: 77900-57-3 Catalog No: AG0056VZ MDL No:
Product Description
Catalog Number:
AG0056VZ
Chemical Name:
2(5H)-Furanone, 3-acetyl-4,5-dibutyl-
CAS Number:
77900-57-3
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
4-acetyl-2,3-dibutyl-2H-furan-5-one
InChI:
InChI=1S/C14H22O3/c1-4-6-8-11-12(9-7-5-2)17-14(16)13(11)10(3)15/h12H,4-9H2,1-3H3
InChI Key:
UFNVKJZRJGQTPI-UHFFFAOYSA-N
SMILES:
CCCCC1OC(=O)C(=C1CCCC)C(=O)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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