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91650-60-1 | 3-Oxabicyclo[3.3.1]nonene-2,4-dione, methyl-
CAS No: 91650-60-1 Catalog No: AG006F6V MDL No:
Product Description
Catalog Number:
AG006F6V
Chemical Name:
3-Oxabicyclo[3.3.1]nonene-2,4-dione, methyl-
CAS Number:
91650-60-1
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
5-methyl-3-oxabicyclo[3.3.1]non-1(8)-ene-2,4-dione
InChI:
InChI=1S/C9H10O3/c1-9-4-2-3-6(5-9)7(10)12-8(9)11/h3H,2,4-5H2,1H3
InChI Key:
VXBSRVWSNQGVTG-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2(CC1=CCC2)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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