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Home > Other Heterocycles > 113889-81-9
113889-81-9 | 1,4-Dioxaspiro[4.4]nonane-2-methanol, (2R)-
CAS No: 113889-81-9 Catalog No: AG000A0H MDL No:
Product Description
Catalog Number:
AG000A0H
Chemical Name:
1,4-Dioxaspiro[4.4]nonane-2-methanol, (2R)-
CAS Number:
113889-81-9
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
1,4-dioxaspiro[4.4]nonan-3-ylmethanol
InChI:
InChI=1S/C8H14O3/c9-5-7-6-10-8(11-7)3-1-2-4-8/h7,9H,1-6H2
InChI Key:
MPXZOTDEWCLXNR-UHFFFAOYSA-N
SMILES:
OC[C@@H]1COC2(O1)CCCC2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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