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Home > Other Heterocycles > 89225-13-8
89225-13-8 | 1,4-Dioxaspiro[4.4]nonane, 6-[(5-methyl-2-furanyl)methyl]-
CAS No: 89225-13-8 Catalog No: AG0044LV MDL No:
Product Description
Catalog Number:
AG0044LV
Chemical Name:
1,4-Dioxaspiro[4.4]nonane, 6-[(5-methyl-2-furanyl)methyl]-
CAS Number:
89225-13-8
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
9-[(5-methylfuran-2-yl)methyl]-1,4-dioxaspiro[4.4]nonane
InChI:
InChI=1S/C13H18O3/c1-10-4-5-12(16-10)9-11-3-2-6-13(11)14-7-8-15-13/h4-5,11H,2-3,6-9H2,1H3
InChI Key:
LGDNLMYFIRIDLG-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)CC1CCCC21OCCO2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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