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Home > Other Heterocycles > 122762-91-8
122762-91-8 | 4,8-Dioxaspiro[2.5]oct-1-ene-1-methanol, 6,6-dimethyl-
CAS No: 122762-91-8 Catalog No: AG000JFJ MDL No:
Product Description
Catalog Number:
AG000JFJ
Chemical Name:
4,8-Dioxaspiro[2.5]oct-1-ene-1-methanol, 6,6-dimethyl-
CAS Number:
122762-91-8
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)methanol
InChI:
InChI=1S/C9H14O3/c1-8(2)5-11-9(12-6-8)3-7(9)4-10/h3,10H,4-6H2,1-2H3
InChI Key:
CDJMNVQJJHJANM-UHFFFAOYSA-N
SMILES:
OCC1=CC21OCC(CO2)(C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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