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Home > Other Heterocycles > 94691-90-4
94691-90-4 | 1,5-Dioxaspiro[5.5]undec-3-en-2-one
CAS No: 94691-90-4 Catalog No: AG006T7A MDL No:
Product Description
Catalog Number:
AG006T7A
Chemical Name:
1,5-Dioxaspiro[5.5]undec-3-en-2-one
CAS Number:
94691-90-4
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
1,5-dioxaspiro[5.5]undec-2-en-4-one
InChI:
InChI=1S/C9H12O3/c10-8-4-7-11-9(12-8)5-2-1-3-6-9/h4,7H,1-3,5-6H2
InChI Key:
NOQYXTYMYYOSQL-UHFFFAOYSA-N
SMILES:
O=C1C=COC2(O1)CCCCC2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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