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Home > Other Heterocycles > 75833-45-3
75833-45-3 | Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 2,5-dimethoxy-
CAS No: 75833-45-3 Catalog No: AG005I3Q MDL No:
Product Description
Catalog Number:
AG005I3Q
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 2,5-dimethoxy-
CAS Number:
75833-45-3
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
2,5-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
InChI:
InChI=1S/C10H10O3/c1-12-8-3-4-9(13-2)10-6(8)5-7(10)11/h3-4H,5H2,1-2H3
InChI Key:
LHHSBDHIOUKUJD-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1CC2=O)OC
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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