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Home > Other Heterocycles > 16111-99-2
16111-99-2 | 1-{1,4-dioxaspiro[4.5]decan-6-yl}ethanone
CAS No: 16111-99-2 Catalog No: AG018SDL MDL No:MFCD29037679
Product Description
Catalog Number:
AG018SDL
Chemical Name:
1-{1,4-dioxaspiro[4.5]decan-6-yl}ethanone
CAS Number:
16111-99-2
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD29037679
IUPAC Name:
1-(1,4-dioxaspiro[4.5]decan-6-yl)ethanone
InChI:
InChI=1S/C10H16O3/c1-8(11)9-4-2-3-5-10(9)12-6-7-13-10/h9H,2-7H2,1H3
InChI Key:
JSDPRMAAGLFEDZ-UHFFFAOYSA-N
SMILES:
CC(=O)C1CCCCC21OCCO2
Properties
Complexity:
206
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:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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