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NEOBYAKANGELICOL

NEOBYAKANGELICOL structure

NEOBYAKANGELICOL 

structure
  • CAS No:

    35214-82-5

  • Formula:

    C17H16O6

  • Chemical Name:

    NEOBYAKANGELICOL

  • Synonyms:

    NEOBYAKANGELICOL;(-)-9-(2-Hydroxy-3-methyl-3-butenyloxy)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one

  • Categories:

    Natural Products  >  Coumarin and Derivatives

Description

Neobyakangelicol is a member of psoralens.

NEOBYAKANGELICOL Basic Attributes

316.31

316.094696

Characteristics

78.1

2.71

1.3±0.1 g/cm3

527.7±50.0 °C at 760 mmHg

273.0±30.1 °C

1.604

Computed Properties

Molecular Weight:316.30
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:316.09468823
Monoisotopic Mass:316.09468823
Topological Polar Surface Area:78.1
Heavy Atom Count:23
Complexity:501
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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