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Home> Hot Product Listed M   > MCULE-3464202013
856437-78-0 structure

MCULE-3464202013

Iupac Name:3-(2-ethylimidazol-1-yl)propanoic acid
CAS No.:856437-78-0
Molecular Weight:168.196
Molecular Formula:C20H20FN5O2 (isomer)
Names and Identifiers
Synonyms

2-[4-(cyanomethyl)phenoxy]-n-[1-(2-methylpropyl)piperidin-4-yl]acetamide MOLPORT-019-669-278 Z846412148 ZINC63825305

Inchi
InChI=1S/C8H12N2O2/c1-2-7-9-4-6-10(7)5-3-8(11)12/h4,6H,2-3,5H2,1H3,(H,11,12)
InChkey
OFSBWDCMIJCCSM-UHFFFAOYSA-N
Canonical Smiles
CCC1=NC=CN1CCC(=O)O
Properties
Refractive Index
1.552
Computational chemical data
  • Molecular Weight:168.196g/mol
  • Molecular Formula:C20H20FN5O2
  • Compound Is Canonicalized:True
  • Exact Mass:168.09
  • Monoisotopic Mass:168.09
  • Complexity:161
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:12
  • 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
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