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Home > Other Heterocycles > 114046-96-7
114046-96-7 | 1,4-Dioxaspiro[4.5]dec-7-ene, 8-(1,3-benzodioxol-5-yl)-
CAS No: 114046-96-7 Catalog No: AG000AEZ MDL No:
Product Description
Catalog Number:
AG000AEZ
Chemical Name:
1,4-Dioxaspiro[4.5]dec-7-ene, 8-(1,3-benzodioxol-5-yl)-
CAS Number:
114046-96-7
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
8-(1,3-benzodioxol-5-yl)-1,4-dioxaspiro[4.5]dec-7-ene
InChI:
InChI=1S/C15H16O4/c1-2-13-14(17-10-16-13)9-12(1)11-3-5-15(6-4-11)18-7-8-19-15/h1-3,9H,4-8,10H2
InChI Key:
FWNNPWKECFQNJY-UHFFFAOYSA-N
SMILES:
C1COC2(O1)CCC(=CC2)c1ccc2c(c1)OCO2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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