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139926-74-2 | 2(3H)-Furanone, 5-[2-(acetyloxy)-3-methylbutyl]dihydro-3-methyl-
CAS No: 139926-74-2 Catalog No: AG001BTD MDL No:
Product Description
Catalog Number:
AG001BTD
Chemical Name:
2(3H)-Furanone, 5-[2-(acetyloxy)-3-methylbutyl]dihydro-3-methyl-
CAS Number:
139926-74-2
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
IUPAC Name:
[3-methyl-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl] acetate
InChI:
InChI=1S/C12H20O4/c1-7(2)11(15-9(4)13)6-10-5-8(3)12(14)16-10/h7-8,10-11H,5-6H2,1-4H3
InChI Key:
QFUUQFCHKDQMEW-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C(C)C)CC1OC(=O)C(C1)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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