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Home> Hot Product Listed 2   > 2H-Pyran-2-one,3,6-dihydro-4,6,6-trimethyl-
23672-07-3 structure

2H-Pyran-2-one,3,6-dihydro-4,6,6-trimethyl-

Iupac Name:N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
CAS No.:23672-07-3
Molecular Weight:341.426
Molecular Formula:C9H8O2S (isomer)
Names and Identifiers
Synonyms

2h-pyran-2-one, 3,6-dihydro-4,6,6-trimethyl- 3,6-dihydro-4,6,6-trimethyl-2h-pyran-2-one 3,6-dihydro-4,6,6-trimethyl-2h-pyran-2-one, 96% 4,6,6-trimethyl-3,6-dihydro-2h-pyran-2-one 4,6,6-trimethyl-3h-pyran-2-one AC1L5V84 AC1Q6H5U AKOS015916702 c-01983 cc-13738 CJ-29240 CTK4F0554 DB-046035 DTXSID00300097 fch1115382 FT-0638272 HE010144 Hydrosorbicacid, 5-hydroxy-3,5-dimethyl-, d-lactone (6CI) I14-50328 J-014916 KB-28923 NSC 134781 nsc134781 nsc-134781 SCHEMBL8079189 ZINC1721536

Inchi
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
InChkey
BGRJTUBHPOOWDU-NSHDSACASA-N
Canonical Smiles
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
Properties
Density
1.214
Melting Point
183-186℃
Refractive Index
1.551
Flash Point
198.1°C
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:341.426g/mol
  • Molecular Formula:C9H8O2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.6
  • Exact Mass:341.141
  • Monoisotopic Mass:341.141
  • Complexity:505
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:110A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:1
  • 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: AAADceBzOABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgQQQAAADCzB2AYyB4PABAKI AiFSEHDCCBAkIAAIiJkODMgMZjaEtRuUMWhm9hGIqYeYyCCOAIAAgAAIAAABAAEAABAAAAAAAAAA AA==
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