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Home > Other Heterocycles > 118140-61-7
118140-61-7 | 1,4-Dioxaspiro[4.4]nonane-7-methanol, 6-methyl-8-(1-methylethenyl)-
CAS No: 118140-61-7 Catalog No: AG0076XQ MDL No:
Product Description
Catalog Number:
AG0076XQ
Chemical Name:
1,4-Dioxaspiro[4.4]nonane-7-methanol, 6-methyl-8-(1-methylethenyl)-
CAS Number:
118140-61-7
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
(9-methyl-7-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonan-8-yl)methanol
InChI:
InChI=1S/C12H20O3/c1-8(2)10-6-12(14-4-5-15-12)9(3)11(10)7-13/h9-11,13H,1,4-7H2,2-3H3
InChI Key:
RIQDESBLUVEBNI-UHFFFAOYSA-N
SMILES:
OCC1C(CC2(C1C)OCCO2)C(=C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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