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Home > Other Heterocycles > 81842-05-9
81842-05-9 | 1,4-Dioxaspiro[4.5]dec-7-ene, 8-[(tetrahydro-2-furanyl)methyl]-
CAS No: 81842-05-9 Catalog No: AG00567X MDL No:
Product Description
Catalog Number:
AG00567X
Chemical Name:
1,4-Dioxaspiro[4.5]dec-7-ene, 8-[(tetrahydro-2-furanyl)methyl]-
CAS Number:
81842-05-9
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
8-(oxolan-2-ylmethyl)-1,4-dioxaspiro[4.5]dec-7-ene
InChI:
InChI=1S/C13H20O3/c1-2-12(14-7-1)10-11-3-5-13(6-4-11)15-8-9-16-13/h3,12H,1-2,4-10H2
InChI Key:
WVEWPIYHJMVYDC-UHFFFAOYSA-N
SMILES:
C1COC(C1)CC1=CCC2(CC1)OCCO2
Properties
Complexity:
279
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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