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Home> Hot Product Listed T   > T6767019
95537-93-2 structure

T6767019

Iupac Name:4-methoxybenzaldehyde
CAS No.:95537-93-2
Molecular Weight:137.142
Molecular Formula:C15H12N4O3 (isomer)
Names and Identifiers
Synonyms

MCULE-4129053384 MOLPORT-009-055-665 n-[2-(3,5-dimethylpiperidin-1-yl)ethyl]furan-3-carboxamide Z422685780

Inchi
InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3/i6+1
InChkey
ZRSNZINYAWTAHE-PTQBSOBMSA-N
Canonical Smiles
COC1=CC=C(C=C1)C=O
Properties
Refractive Index
1.547
Computational chemical data
  • Molecular Weight:137.142g/mol
  • Molecular Formula:C15H12N4O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.8
  • Exact Mass:137.056
  • Monoisotopic Mass:137.056
  • Complexity:104
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:1
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADASgmAIyBoAABACI AihSgAACCAAkIAAIiAEGCMgMJjKENRqAMSAkwBEIqYeIzADOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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