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Home > Other Heterocycles > 18926-93-7
18926-93-7 | Bicyclo[4.2.0]oct-1(6)-en-2-one, 7,7-dimethoxy-
CAS No: 18926-93-7 Catalog No: AG002I54 MDL No:
Product Description
Catalog Number:
AG002I54
Chemical Name:
Bicyclo[4.2.0]oct-1(6)-en-2-one, 7,7-dimethoxy-
CAS Number:
18926-93-7
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
7,7-dimethoxybicyclo[4.2.0]oct-1(6)-en-2-one
InChI:
InChI=1S/C10H14O3/c1-12-10(13-2)6-7-8(10)4-3-5-9(7)11/h3-6H2,1-2H3
InChI Key:
SQXNDTJRUYRUTM-UHFFFAOYSA-N
SMILES:
COC1(OC)CC2=C1CCCC2=O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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