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4H-1-Benzopyran-4-one, 6-methoxy-2-(3,4,5-trimethoxyphenyl)- structure
4H-1-Benzopyran-4-one, 6-methoxy-2-(3,4,5-trimethoxyphenyl)- structure

4H-1-Benzopyran-4-one, 6-methoxy-2-(3,4,5-trimethoxyphenyl)-

Iupac Name:4-methyl-5H-pyrido[4,3-b]indol-3-amine
CAS No.:75240-17-4
Molecular Weight:197.241
1. Names and Identifiers
1.1 Name
4H-1-Benzopyran-4-one, 6-methoxy-2-(3,4,5-trimethoxyphenyl)-
1.2 CAS No.
75240-17-4
1.3 CID
135622
1.4 Molecular Formula
C20H15N3O3S (isomer)
1.5 Inchi
InChI=1S/C12H11N3/c1-7-11-9(6-14-12(7)13)8-4-2-3-5-10(8)15-11/h2-6,15H,1H3,(H2,13,14)
1.6 InChkey
DDXIBCGNKDUWRX-UHFFFAOYSA-N
1.7 Canonical Smiles
CC1=C2C(=CN=C1N)C3=CC=CC=C3N2
1.8 Isomers Smiles
CC1=C2C(=CN=C1N)C3=CC=CC=C3N2
2. 3D Conformer
3. Properties
3.1 Refractive Index
1.806
4. Computational chemical data
  • Molecular Weight:197.241g/mol
  • Molecular Formula:C20H15N3O3S
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.6
  • Exact Mass:197.095
  • Monoisotopic Mass:197.095
  • Complexity:243
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Recommended Suppliers
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4-methyl-5H-pyrido[4,3-b]indol-3-amine
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2016/07/05
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