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Home > Other Heterocycles > 129896-06-6
129896-06-6 | 1,4-Dioxaspiro[4.4]nonane-2-methanol, 3,3-dimethyl-, (2S)-
CAS No: 129896-06-6 Catalog No: AG000TRQ MDL No:
Product Description
Catalog Number:
AG000TRQ
Chemical Name:
1,4-Dioxaspiro[4.4]nonane-2-methanol, 3,3-dimethyl-, (2S)-
CAS Number:
129896-06-6
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
(3,3-dimethyl-1,4-dioxaspiro[4.4]nonan-2-yl)methanol
InChI:
InChI=1S/C10H18O3/c1-9(2)8(7-11)12-10(13-9)5-3-4-6-10/h8,11H,3-7H2,1-2H3
InChI Key:
FTZNTQJDRWDGIO-UHFFFAOYSA-N
SMILES:
OC[C@@H]1OC2(OC1(C)C)CCCC2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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