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Home > Encyclopedia > Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)-

Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)-

Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)- structure

Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)- 

structure
  • CAS No:

    26349-76-8

  • Formula:

    C8H13NO2S

  • Chemical Name:

    Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)-

  • Synonyms:

    Butanoic acid,2-isothiocyanato-3-methyl-,ethyl ester,(S)-;Butyric acid,2-isothiocyanato-3-methyl-,ethyl ester,L-;NSC 218420

Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)- Basic Attributes

187.262

187.26

218420

DTXSID00309888

2930909090

Characteristics

70.8

1.67690

1.06g/cm3

249ºC at 760 mmHg

104.4ºC

1.497

0.0235mmHg at 25°C

Safety Information

IRRITANT

Xi

Computed Properties

Molecular Weight:187.26
XLogP3:3.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:187.06669983
Monoisotopic Mass:187.06669983
Topological Polar Surface Area:70.8
Heavy Atom Count:12
Complexity:197
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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