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Home > Other Heterocycles > 87641-24-5
87641-24-5 | 2'-methylspiro(bicyclo(2.2.1)heptane-2,5'-(1,3)dioxane)
CAS No: 87641-24-5 Catalog No: AG004OMW MDL No:
Product Description
Catalog Number:
AG004OMW
Chemical Name:
2'-methylspiro(bicyclo(2.2.1)heptane-2,5'-(1,3)dioxane)
CAS Number:
87641-24-5
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
2-methylspiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]
InChI:
InChI=1S/C11H18O2/c1-8-12-6-11(7-13-8)5-9-2-3-10(11)4-9/h8-10H,2-7H2,1H3
InChI Key:
HSNHBDAGWWAPOE-UHFFFAOYSA-N
SMILES:
CC1OCC2(CO1)CC1CC2CC1
EC Number:
289-330-6
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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