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Home> Encyclopedia > Hot Product Listed X   > XGYWMIOYSRBPAT-UHFFFAOYSA-N
132688-31-4 structure

XGYWMIOYSRBPAT-UHFFFAOYSA-N

Iupac Name:1-(2,6-dimethylphenyl)pyrrole-3-carbaldehyde
CAS No.:132688-31-4
Molecular Weight:199.253
Molecular Formula:C13H13NO (isomer)
Names and Identifiers
Synonyms

1-(2,6-Dimethyl-phenyl)-1H-pyrrole-3-carbald ehyde 1-(2,6-dimethylphenyl)-1h-pyrrole-3-carbaldehyde 1-(2,6-dimethylphenyl)-1h-pyrrole-3-carboxaldehyde 1-(2,6-dimethylphenyl)pyrrole-3-carbaldehyde 132688-31-4 AB01327756-02 AC1NFX93 AK191883 AKOS000112081 BB 0249281 BBL020333 KM4206 MCULE-7213910866 mfcd06653456 MOLPORT-000-148-480 NCGC00335499-01 pya-0424 SCHEMBL10406338 STK891535 ZINC4237768 zx-bk001491

Inchi
InChI=1S/C13H13NO/c1-10-4-3-5-11(2)13(10)14-7-6-12(8-14)9-15/h3-9H,1-2H3
InChkey
XGYWMIOYSRBPAT-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(=CC=C1)C)N2C=CC(=C2)C=O
Isomers Smiles
CC1=C(C(=CC=C1)C)N2C=CC(=C2)C=O
Computational chemical data
  • Molecular Weight:199.253g/mol
  • Molecular Formula:C13H13NO
  • Compound Is Canonicalized:True
  • Exact Mass:199.1
  • Monoisotopic Mass:199.1
  • Complexity:219
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:22A^2
  • Heavy Atom Count:15
  • 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: AAADccByIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAAAAAADAjhmgY+wJMMEACo Ajx3xACCgCA1AiAI2CE4ZNgIIPrAlZGEIYhggADIyccUgEAOAAACAAACAAAAAAQAAAQAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:(7-495) 761 4365
  • Fax:(7-495) 412 2787
  • Tel:+44 1204 524 929
  • Fax:
  • Tel:+49-(421)-2208-403
  • Fax:+49-(421)-2208-409
 
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