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Home > Other Heterocycles > 1331825-49-0
1331825-49-0 | 1-oxaspiro[4.4]nonan-3-ol
CAS No: 1331825-49-0 Catalog No: AG0014D6 MDL No:
Product Description
Catalog Number:
AG0014D6
Chemical Name:
1-oxaspiro[4.4]nonan-3-ol
CAS Number:
1331825-49-0
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
1-oxaspiro[4.4]nonan-3-ol
InChI:
InChI=1S/C8H14O2/c9-7-5-8(10-6-7)3-1-2-4-8/h7,9H,1-6H2
InChI Key:
IJYLVXISVKDBSA-UHFFFAOYSA-N
SMILES:
OC1COC2(C1)CCCC2
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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