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Home > Other Heterocycles > 179-59-9
179-59-9 | 6-Oxadispiro[4.1.4.2]tridecane (8CI,9CI)
CAS No: 179-59-9 Catalog No: AG0026OE MDL No:
Product Description
Catalog Number:
AG0026OE
Chemical Name:
6-Oxadispiro[4.1.4.2]tridecane (8CI,9CI)
CAS Number:
179-59-9
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
6-oxadispiro[4.1.47.25]tridecane
InChI:
InChI=1S/C12H20O/c1-2-6-11(5-1)9-10-12(13-11)7-3-4-8-12/h1-10H2
InChI Key:
YMHSDIRTXIEOLV-UHFFFAOYSA-N
SMILES:
C1CCC2(C1)CCC1(O2)CCCC1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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