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66293-73-0 | 1(2H)-Isoquinolinone, 5,6,7-trimethoxy-4-methyl-
CAS No: 66293-73-0 Catalog No: AG006NOM MDL No:
Product Description
Catalog Number:
AG006NOM
Chemical Name:
1(2H)-Isoquinolinone, 5,6,7-trimethoxy-4-methyl-
CAS Number:
66293-73-0
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
5,6,7-trimethoxy-4-methyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C13H15NO4/c1-7-6-14-13(15)8-5-9(16-2)11(17-3)12(18-4)10(7)8/h5-6H,1-4H3,(H,14,15)
InChI Key:
AWLBQMQBMCESBB-UHFFFAOYSA-N
SMILES:
COc1cc2c(=O)[nH]cc(c2c(c1OC)OC)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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