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116340-03-5 | 2,3-Furandione, 4-ethyldihydro-4-methyl-5-(1-methylpropyl)-
CAS No: 116340-03-5 Catalog No: AG000C91 MDL No:
Product Description
Catalog Number:
AG000C91
Chemical Name:
2,3-Furandione, 4-ethyldihydro-4-methyl-5-(1-methylpropyl)-
CAS Number:
116340-03-5
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
5-butan-2-yl-4-ethyl-4-methyloxolane-2,3-dione
InChI:
InChI=1S/C11H18O3/c1-5-7(3)9-11(4,6-2)8(12)10(13)14-9/h7,9H,5-6H2,1-4H3
InChI Key:
ZPQGNDQNDCNZCX-UHFFFAOYSA-N
SMILES:
CCC(C1OC(=O)C(=O)C1(C)CC)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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