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Home > Other Heterocycles > 96028-65-8
96028-65-8 | Bicyclo[2.2.2]oct-2-ene, 1-methoxy-6-(methoxymethylene)-, (E)-
CAS No: 96028-65-8 Catalog No: AG006TJ2 MDL No:
Product Description
Catalog Number:
AG006TJ2
Chemical Name:
Bicyclo[2.2.2]oct-2-ene, 1-methoxy-6-(methoxymethylene)-, (E)-
CAS Number:
96028-65-8
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
1-methoxy-6-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene
InChI:
InChI=1S/C11H16O2/c1-12-8-10-7-9-3-5-11(10,13-2)6-4-9/h3,5,8-9H,4,6-7H2,1-2H3
InChI Key:
UEMCZYWYUKGGQQ-UHFFFAOYSA-N
SMILES:
CO/C=C/1\CC2CCC1(OC)C=C2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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