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caffeine aspartate

caffeine aspartate structure

caffeine aspartate 

structure
  • CAS No:

    52243-45-5

  • Formula:

    C12H17N5O6

  • Chemical Name:

    caffeine aspartate

  • Synonyms:

    CAFFEINE ASPARTATE;CTK4J5656;DTXSID10722160;L-Aspartic acid--1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (1/1)

caffeine aspartate Basic Attributes

327.297

327.118

DTXSID10722160

Characteristics

159

Safety Information

6.1(b)

1544

Computed Properties

Molecular Weight:327.29
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:327.11788328
Monoisotopic Mass:327.11788328
Topological Polar Surface Area:159
Heavy Atom Count:23
Complexity:426
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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