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(7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate

(7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate structure

(7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate 

structure
  • CAS No:

    5456-17-7

  • Formula:

    C17H31NO2S

  • Chemical Name:

    (7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate

  • Synonyms:

    5456-17-7;NSC1226;(7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate;DTXSID50277225;NSC-1226;THIOCYANATOACETIC ACID, 4-ETHYL-1-ISOBUTYLOCTYL ESTER

(7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate Basic Attributes

313.5 g/mol

313.20755041 g/mol

1226

DTXSID50277225

Characteristics

75.4 Ų

Computed Properties

Molecular Weight:313.5
XLogP3:6.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:13
Exact Mass:313.20755041
Monoisotopic Mass:313.20755041
Topological Polar Surface Area:75.4
Heavy Atom Count:21
Complexity:324
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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