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Home> Hot Product Listed A   > AZEPAN-1-YL-ACETIC ACID
52703-80-7 structure

AZEPAN-1-YL-ACETIC ACID

Iupac Name:2-(azepan-1-yl)acetic acid
CAS No.:52703-80-7
Molecular Weight:157.213
Molecular Formula:C8H15NO2 (isomer)
Properties
Density
1.066
Boiling Point
270.5°C at 760 mmHg
Refractive Index
1.483
Flash Point
117.4°C
Safety and Handling
Risk Statements
52
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:157.213g/mol
  • Molecular Formula:C8H15NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_2.1
  • Exact Mass:157.11
  • Monoisotopic Mass:157.11
  • Complexity:128
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABYAAAAAAAAAAHgAACAAACADBgAQACAMAAgAI AACQCAAAAAAAAAAAAACIAAACAAIAgCAEAAAAAACQAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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