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Home > Indoles and Oxindole > 122739-09-7
122739-09-7 | Benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one, 7-ethoxy-8-methoxy-
CAS No: 122739-09-7 Catalog No: AG000J8J MDL No:
Product Description
Catalog Number:
AG000J8J
Chemical Name:
Benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one, 7-ethoxy-8-methoxy-
CAS Number:
122739-09-7
Molecular Formula:
C19H15NO5
Molecular Weight:
337.3261
IUPAC Name:
12-ethoxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one
InChI:
InChI=1S/C19H15NO5/c1-3-23-18-13-9(5-4-6-11(13)22-2)15-14-10(19(21)20-16(14)18)7-12-17(15)25-8-24-12/h4-7H,3,8H2,1-2H3,(H,20,21)
InChI Key:
YFTVKUKOLZCKAN-UHFFFAOYSA-N
SMILES:
CCOc1c2c(OC)cccc2c2c3c1[nH]c(=O)c3cc1c2OCO1
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.095g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.331g/mol
Monoisotopic Mass:
337.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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