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Home > Other Heterocycles > 89567-18-0
89567-18-0 | 8-Oxabicyclo[3.2.1]oct-3-en-2-one, 6-ethoxy-
CAS No: 89567-18-0 Catalog No: AG003ZBM MDL No:
Product Description
Catalog Number:
AG003ZBM
Chemical Name:
8-Oxabicyclo[3.2.1]oct-3-en-2-one, 6-ethoxy-
CAS Number:
89567-18-0
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
6-ethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
InChI:
InChI=1S/C9H12O3/c1-2-11-9-5-8-6(10)3-4-7(9)12-8/h3-4,7-9H,2,5H2,1H3
InChI Key:
CUWSWPRAIJBOOA-UHFFFAOYSA-N
SMILES:
CCOC1CC2OC1C=CC2=O
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:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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