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Home > Other Heterocycles > 81842-13-9
81842-13-9 | 1,4-Dioxaspiro[4.5]dec-6-ene, 8-[(tetrahydro-2-furanyl)methyl]-
CAS No: 81842-13-9 Catalog No: AG00567U MDL No:
Product Description
Catalog Number:
AG00567U
Chemical Name:
1,4-Dioxaspiro[4.5]dec-6-ene, 8-[(tetrahydro-2-furanyl)methyl]-
CAS Number:
81842-13-9
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
8-(oxolan-2-ylmethyl)-1,4-dioxaspiro[4.5]dec-6-ene
InChI:
InChI=1S/C13H20O3/c1-2-12(14-7-1)10-11-3-5-13(6-4-11)15-8-9-16-13/h3,5,11-12H,1-2,4,6-10H2
InChI Key:
MKTZWTQKAHYLPF-UHFFFAOYSA-N
SMILES:
C1COC(C1)CC1CCC2(C=C1)OCCO2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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