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Home > Encyclopedia > (2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID

(2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID

(2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID structure

(2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID 

structure
  • CAS No:

    53921-74-7

  • Formula:

    C13H15NO3

  • Chemical Name:

    (2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID

  • Synonyms:

    IFLAB-BB F1371-0139;1-(2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID;(2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID;2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLINE-1-ACETIC ACID;AKOS BBS-00001364;OTAVA-BB BB7110950226

(2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID Basic Attributes

233.26

233.10500

DTXSID80377888

2933499090

Characteristics

57.6

1.54490

1.222g/cm3

476.5ºC at 760mmHg

242ºC

1.564

32.7 [ug/mL]

Computed Properties

Molecular Weight:233.26
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:233.10519334
Monoisotopic Mass:233.10519334
Topological Polar Surface Area:57.6
Heavy Atom Count:17
Complexity:316
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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