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Home> Encyclopedia > Hot Product Listed 6   > 6H-Benzofuro[3,2-c][1]benzopyran-8-ol,6a,11a-dihydro-3-methoxy-9-(2-methylpropoxy)-, cis- (9CI)
83655-70-3 structure

6H-Benzofuro[3,2-c][1]benzopyran-8-ol,6a,11a-dihydro-3-methoxy-9-(2-methylpropoxy)-, cis- (9CI)

Iupac Name:5-bromo-2-piperidin-1-ylpyridine-3-carboxylic acid
CAS No.:83655-70-3
Molecular Weight:285.141
Molecular Formula:C18H20N2O (isomer)
Names and Identifiers
Synonyms

(1s,10s)-5-methoxy-14-(2-methylpropoxy)-8,17-dioxatetracyclo[8.7.0.0(2),?.0(1)(1),(1)?]heptadeca-2(7),3,5,11,13,15-hexaen-13-ol (6as,11as)-3-methoxy-9-(2-methylpropoxy)-6a,11a-dihydro-6h-[1]benzofuro[3,2-c]chromen-8-ol (6as,11as)-9-isobutoxy-3-methoxy-6a,11a-dihydro-6h-benzofuro[3,2-c]chromen-8-ol 6h-benzofuro(3,2-c)(1)benzopyran-8-ol, 6a,11a-dihydro-3-methoxy-9-(2-methylpropoxy)-, cis- 6h-benzofuro[3,2-c][1]benzopyran-8-ol, 6a,11a-dihydro-3-methoxy-9-(2-methylpropoxy)-, cis- AC1LAI5T AC1Q1PTH AR-1A6810 CTK4C7460 DTXSID10165033 KST-1A1636

Inchi
InChI=1S/C11H13BrN2O2/c12-8-6-9(11(15)16)10(13-7-8)14-4-2-1-3-5-14/h6-7H,1-5H2,(H,15,16)
InChkey
FLTMCVUUIBGFEV-UHFFFAOYSA-N
Canonical Smiles
C1CCN(CC1)C2=NC=C(C=C2C(=O)O)Br
Properties
Boiling Point
534.6°C at 760 mmHg
Flash Point
79℃
Computational chemical data
  • Molecular Weight:285.141g/mol
  • Molecular Formula:C18H20N2O
  • Compound Is Canonicalized:True
  • Exact Mass:284.016
  • Monoisotopic Mass:284.016
  • Complexity:256
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:53.4A^2
  • Heavy Atom Count:16
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzMAAAEAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHgBACAABrADBmgQ9uJMIEgCo AjL3bACCgCk1ACQB2CEoTPiIJvrAnZGEcYhuwAPI2/aYEQIMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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