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Home > Other Heterocycles > 128445-77-2
128445-77-2 | 7-Oxabicyclo[4.1.0]heptan-2-one, 6-ethoxy-4,4-dimethyl-
CAS No: 128445-77-2 Catalog No: AG000Y49 MDL No:
Product Description
Catalog Number:
AG000Y49
Chemical Name:
7-Oxabicyclo[4.1.0]heptan-2-one, 6-ethoxy-4,4-dimethyl-
CAS Number:
128445-77-2
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
6-ethoxy-4,4-dimethyl-7-oxabicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C10H16O3/c1-4-12-10-6-9(2,3)5-7(11)8(10)13-10/h8H,4-6H2,1-3H3
InChI Key:
OJBWQEUIJIWVHK-UHFFFAOYSA-N
SMILES:
CCOC12OC2C(=O)CC(C1)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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