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Home > Other Heterocycles > 88400-05-9
88400-05-9 | 1,7-Dioxaspiro[5.5]undec-2-en-4-one
CAS No: 88400-05-9 Catalog No: AG004F45 MDL No:
Product Description
Catalog Number:
AG004F45
Chemical Name:
1,7-Dioxaspiro[5.5]undec-2-en-4-one
CAS Number:
88400-05-9
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
1,7-dioxaspiro[5.5]undec-2-en-4-one
InChI:
InChI=1S/C9H12O3/c10-8-3-6-12-9(7-8)4-1-2-5-11-9/h3,6H,1-2,4-5,7H2
InChI Key:
ZCSTVJQVEIKAAK-UHFFFAOYSA-N
SMILES:
O=C1C=COC2(C1)CCCCO2
Properties
Complexity:
222
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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