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Home > Other Heterocycles > 138911-85-0
138911-85-0 | 2-Butanone, 4-(1,4-dioxaspiro[4.7]dodec-8-yl)-
CAS No: 138911-85-0 Catalog No: AG0019T2 MDL No:
Product Description
Catalog Number:
AG0019T2
Chemical Name:
2-Butanone, 4-(1,4-dioxaspiro[4.7]dodec-8-yl)-
CAS Number:
138911-85-0
Molecular Formula:
C14H24O3
Molecular Weight:
240.3386
IUPAC Name:
4-(1,4-dioxaspiro[4.7]dodecan-8-yl)butan-2-one
InChI:
InChI=1S/C14H24O3/c1-12(15)5-6-13-4-2-3-8-14(9-7-13)16-10-11-17-14/h13H,2-11H2,1H3
InChI Key:
XOKHEZYNOFGFDV-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1CCCCC2(CC1)OCCO2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.343g/mol
Monoisotopic Mass:
240.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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