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Home > Other Heterocycles > 67213-05-2
67213-05-2 | Bicyclo[5.2.0]nona-1,4,6-trien-3-one, 4-methoxy-
CAS No: 67213-05-2 Catalog No: AG006K7G MDL No:
Product Description
Catalog Number:
AG006K7G
Chemical Name:
Bicyclo[5.2.0]nona-1,4,6-trien-3-one, 4-methoxy-
CAS Number:
67213-05-2
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
4-methoxybicyclo[5.2.0]nona-1,4,6-trien-3-one
InChI:
InChI=1S/C10H10O2/c1-12-10-5-4-7-2-3-8(7)6-9(10)11/h4-6H,2-3H2,1H3
InChI Key:
YEDYXCOLJHJNKI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(cc1=O)CC2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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