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Home > Other Heterocycles > 1849276-07-8
1849276-07-8 | {1,7-dioxaspiro[4.4]nonan-2-yl}methanol, Mixture of diastereomers
CAS No: 1849276-07-8 Catalog No: AG01BYG7 MDL No:MFCD30486673
Product Description
Catalog Number:
AG01BYG7
Chemical Name:
{1,7-dioxaspiro[4.4]nonan-2-yl}methanol, Mixture of diastereomers
CAS Number:
1849276-07-8
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD30486673
IUPAC Name:
1,7-dioxaspiro[4.4]nonan-2-ylmethanol
InChI:
InChI=1S/C8H14O3/c9-5-7-1-2-8(11-7)3-4-10-6-8/h7,9H,1-6H2
InChI Key:
IWRBSIWUIRWDML-UHFFFAOYSA-N
SMILES:
OCC1CCC2(O1)COCC2
Properties
Complexity:
148
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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