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Home > Other Heterocycles > 89101-97-3
89101-97-3 | 1,4-Dioxaspiro[4.5]decane, 7-methoxy-
CAS No: 89101-97-3 Catalog No: AG003ZM6 MDL No:
Product Description
Catalog Number:
AG003ZM6
Chemical Name:
1,4-Dioxaspiro[4.5]decane, 7-methoxy-
CAS Number:
89101-97-3
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
7-methoxy-1,4-dioxaspiro[4.5]decane
InChI:
InChI=1S/C9H16O3/c1-10-8-3-2-4-9(7-8)11-5-6-12-9/h8H,2-7H2,1H3
InChI Key:
PQXOGTIVELICCU-UHFFFAOYSA-N
SMILES:
COC1CCCC2(C1)OCCO2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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