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Home > Encyclopedia > Dimethyl 3-isothiocyanatohexanedioate

Dimethyl 3-isothiocyanatohexanedioate

Dimethyl 3-isothiocyanatohexanedioate structure

Dimethyl 3-isothiocyanatohexanedioate 

structure
  • CAS No:

    1017791-58-0

  • Formula:

    C9H13NO4S

  • Chemical Name:

    Dimethyl 3-isothiocyanatohexanedioate

  • Synonyms:

    DIMETHYL 3-ISOTHIOCYANATOHEXANEDIOATE;CTK8A7514;7451AC;AKOS015853926

Dimethyl 3-isothiocyanatohexanedioate Basic Attributes

231.26882

231.057

Characteristics

97

1.6

Safety Information

IRRITANT

Xi

Computed Properties

Molecular Weight:231.27
XLogP3:1.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:231.05652907
Monoisotopic Mass:231.05652907
Topological Polar Surface Area:97
Heavy Atom Count:15
Complexity:273
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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