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26477-10-1 | Isoindolo[1,2-a]isoquinolin-8(6H)-one, 5,12b-dihydro-2,3-dimethoxy-
CAS No: 26477-10-1 Catalog No: AG002TDM MDL No:
Product Description
Catalog Number:
AG002TDM
Chemical Name:
Isoindolo[1,2-a]isoquinolin-8(6H)-one, 5,12b-dihydro-2,3-dimethoxy-
CAS Number:
26477-10-1
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
2,3-dimethoxy-6,12b-dihydro-5H-isoindolo[1,2-a]isoquinolin-8-one
InChI:
InChI=1S/C18H17NO3/c1-21-15-9-11-7-8-19-17(14(11)10-16(15)22-2)12-5-3-4-6-13(12)18(19)20/h3-6,9-10,17H,7-8H2,1-2H3
InChI Key:
MMHYYMDNTIDRIJ-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN1C2c2ccccc2C1=O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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