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Home> Hot Product Listed P   > Phosphoramidic acid, [4-(dimethylamino)phenyl]-, diphenyl ester
672-89-9 structure

Phosphoramidic acid, [4-(dimethylamino)phenyl]-, diphenyl ester

Iupac Name:4-methoxy-6-methylpyran-2-one
CAS No.:672-89-9
Molecular Weight:140.138
Molecular Formula:C22H20O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C7H8O3/c1-5-3-6(9-2)4-7(8)10-5/h3-4H,1-2H3
InChkey
MTZAUZNQAMNFME-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=CC(=O)O1)OC
Properties
Melting Point
83-86 ºC
Refractive Index
1.492
Reach Info
Computational chemical data
  • Molecular Weight:140.138g/mol
  • Molecular Formula:C22H20O2
  • Compound Is Canonicalized:True
  • Exact Mass:140.047
  • Monoisotopic Mass:140.047
  • Complexity:213
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:35.5A^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:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAAAAAACASAgAICCAAABACI ACDSCAAACAAAIAAACAAAAEAIBAAAIQACEAAAAAAAoQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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