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Home > Other Heterocycles > 88400-12-8
88400-12-8 | 1,6-Dioxaspiro[4.5]dec-7-en-9-one, 4-methyl-
CAS No: 88400-12-8 Catalog No: AG004F42 MDL No:
Product Description
Catalog Number:
AG004F42
Chemical Name:
1,6-Dioxaspiro[4.5]dec-7-en-9-one, 4-methyl-
CAS Number:
88400-12-8
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
4-methyl-1,6-dioxaspiro[4.5]dec-7-en-9-one
InChI:
InChI=1S/C9H12O3/c1-7-2-4-11-9(7)6-8(10)3-5-12-9/h3,5,7H,2,4,6H2,1H3
InChI Key:
WXCGLGCWNDKDBY-UHFFFAOYSA-N
SMILES:
O=C1C=COC2(C1)OCCC2C
Properties
Complexity:
234
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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