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Home > Other Heterocycles > 215877-52-4
215877-52-4 | 7,8,12-Trioxaspiro[5.6]dodecane, 9,9,11-trimethyl-
CAS No: 215877-52-4 Catalog No: AG0070JT MDL No:
Product Description
Catalog Number:
AG0070JT
Chemical Name:
7,8,12-Trioxaspiro[5.6]dodecane, 9,9,11-trimethyl-
CAS Number:
215877-52-4
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
9,9,11-trimethyl-7,8,12-trioxaspiro[5.6]dodecane
InChI:
InChI=1S/C12H22O3/c1-10-9-11(2,3)14-15-12(13-10)7-5-4-6-8-12/h10H,4-9H2,1-3H3
InChI Key:
UWSCTMIMCGDSMG-UHFFFAOYSA-N
SMILES:
CC1OC2(CCCCC2)OOC(C1)(C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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