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Home > Other Heterocycles > 150019-56-0
150019-56-0 | 1,4-Dioxaspiro[4.5]decan-8-ol, 8-(1,3-benzodioxol-5-yl)-
CAS No: 150019-56-0 Catalog No: AG001M9E MDL No:MFCD12828034
Product Description
Catalog Number:
AG001M9E
Chemical Name:
1,4-Dioxaspiro[4.5]decan-8-ol, 8-(1,3-benzodioxol-5-yl)-
CAS Number:
150019-56-0
Molecular Formula:
C15H18O5
Molecular Weight:
278.3004
MDL Number:
MFCD12828034
IUPAC Name:
8-(1,3-benzodioxol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol
InChI:
InChI=1S/C15H18O5/c16-14(3-5-15(6-4-14)19-7-8-20-15)11-1-2-12-13(9-11)18-10-17-12/h1-2,9,16H,3-8,10H2
InChI Key:
PLYRZRKIOHFLCH-UHFFFAOYSA-N
SMILES:
OC1(CCC2(CC1)OCCO2)c1ccc2c(c1)OCO2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.304g/mol
Monoisotopic Mass:
278.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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