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Home > Other Heterocycles > 81040-62-2
81040-62-2 | 1,4-Dioxaspiro[4.5]decan-8-one, 6,7-dimethyl-
CAS No: 81040-62-2 Catalog No: AG0056G5 MDL No:
Product Description
Catalog Number:
AG0056G5
Chemical Name:
1,4-Dioxaspiro[4.5]decan-8-one, 6,7-dimethyl-
CAS Number:
81040-62-2
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
6,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one
InChI:
InChI=1S/C10H16O3/c1-7-8(2)10(4-3-9(7)11)12-5-6-13-10/h7-8H,3-6H2,1-2H3
InChI Key:
NNWMZGBAYUGJMX-UHFFFAOYSA-N
SMILES:
O=C1CCC2(C(C1C)C)OCCO2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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