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Home > Other Heterocycles > 211108-80-4
211108-80-4 | Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 5,8,8-trimethoxy-
CAS No: 211108-80-4 Catalog No: AG002L64 MDL No:
Product Description
Catalog Number:
AG002L64
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 5,8,8-trimethoxy-
CAS Number:
211108-80-4
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
5,8,8-trimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
InChI:
InChI=1S/C11H12O4/c1-13-8-6-4-5-7-9(8)10(12)11(7,14-2)15-3/h4-6H,1-3H3
InChI Key:
YFSJFSJVALVNIV-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)C2(OC)OC
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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