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barbatic acid

barbatic acid structure

barbatic acid 

structure
  • CAS No:

    29838-46-8

  • Formula:

    C19H20O7

  • Chemical Name:

    barbatic acid

  • Synonyms:

    barbatic acid;roccellic acid;(+)-erythro-roccellic acid;(2R,3S)-2-Dodecyl-3-methylbutanedioic acid;(2R,3S)-2-Dodecyl-3-methylsuccinic acid;d-2-Dodecyl-3-methylsuccinic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

barbatic acid Basic Attributes

300.439

300.23000

249985

Characteristics

74.60000

4.71890

1.004g/cm3

132-133°

410.1ºC at 760mmHg

216ºC

1.472

D20 +18° (c = 1.84 in ethanol)

Computed Properties

Molecular Weight:300.4
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:300.23005950
Monoisotopic Mass:300.23005950
Topological Polar Surface Area:74.6
Heavy Atom Count:21
Complexity:289
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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