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Home > Other Heterocycles > 179729-98-7
179729-98-7 | 1,3-Dioxaspiro[4.6]undecane (9CI)
CAS No: 179729-98-7 Catalog No: AG00277L MDL No:
Product Description
Catalog Number:
AG00277L
Chemical Name:
1,3-Dioxaspiro[4.6]undecane (9CI)
CAS Number:
179729-98-7
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
1,3-dioxaspiro[4.6]undecane
InChI:
InChI=1S/C9H16O2/c1-2-4-6-9(5-3-1)7-10-8-11-9/h1-8H2
InChI Key:
KUQVHJHEKRZXBA-UHFFFAOYSA-N
SMILES:
C1CCCC2(CC1)COCO2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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