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Home > Encyclopedia > methyl 2-[[2-acetyloxy-5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-ethoxyphenyl]methylsulfanyl]benzoate

methyl 2-[[2-acetyloxy-5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-ethoxyphenyl]methylsulfanyl]benzoate

methyl 2-[[2-acetyloxy-5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-ethoxyphenyl]methylsulfanyl]benzoate structure

methyl 2-[[2-acetyloxy-5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-ethoxyphenyl]methylsulfanyl]benzoate 

structure
  • CAS No:

    107788-09-0

  • Formula:

    C23H22N2O6S

  • Chemical Name:

    methyl 2-[[2-acetyloxy-5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-ethoxyphenyl]methylsulfanyl]benzoate

methyl 2-[[2-acetyloxy-5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-ethoxyphenyl]methylsulfanyl]benzoate Basic Attributes

454.49600

454.11985760

Characteristics

155.00000

4.63148

1.33g/cm3

662.3ºC at 760mmHg

354.3ºC

1.616

2.07E-17mmHg at 25°C

Computed Properties

Molecular Weight:454.5
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:454.11985760
Monoisotopic Mass:454.11985760
Topological Polar Surface Area:154
Heavy Atom Count:32
Complexity:761
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[[2-acetyloxy-5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-ethoxyphenyl]methylsulfanyl]benzoate

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