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Home > Other Heterocycles > 918952-55-3
918952-55-3 | 1,7,9-Trioxaspiro[4.5]dec-3-ene, 8,8-dimethyl-
CAS No: 918952-55-3 Catalog No: AG006A3G MDL No:
Product Description
Catalog Number:
AG006A3G
Chemical Name:
1,7,9-Trioxaspiro[4.5]dec-3-ene, 8,8-dimethyl-
CAS Number:
918952-55-3
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
8,8-dimethyl-1,7,9-trioxaspiro[4.5]dec-3-ene
InChI:
InChI=1S/C9H14O3/c1-8(2)11-6-9(7-12-8)4-3-5-10-9/h3-4H,5-7H2,1-2H3
InChI Key:
GSXPGHVXIGAJQF-UHFFFAOYSA-N
SMILES:
CC1(C)OCC2(CO1)OCC=C2
Properties
Complexity:
198
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:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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