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Home> Hot Product Listed M   > MOLPORT-022-460-829
243668-56-6 structure

MOLPORT-022-460-829

Iupac Name:N-(4-hydroxy-4-methoxycyclohexa-2,5-dien-1-ylidene)acetamide
CAS No.:243668-56-6
Molecular Weight:181.191
Molecular Formula:C10H10N2O2 (isomer)
Names and Identifiers
Synonyms

4,5-dimethyl-1h-indole-2-carbaldehyde AKOS022710195 NE42541 SCHEMBL11708385 ZINC82399716

Inchi
InChI=1S/C9H11NO3/c1-7(11)10-8-3-5-9(12,13-2)6-4-8/h3-6,12H,1-2H3
InChkey
UQZIALJDELBMMF-UHFFFAOYSA-N
Canonical Smiles
CC(=O)N=C1C=CC(C=C1)(O)OC
Computational chemical data
  • Molecular Weight:181.191g/mol
  • Molecular Formula:C10H10N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:181.074
  • Monoisotopic Mass:181.074
  • Complexity:286
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:58.9A^2
  • Heavy Atom Count:13
  • 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: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAACAAACAyBgAICCAIABgCo ASFyFAAAAAAgAAAICAAQABgQBAAAIAAAEAAAAAAIMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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