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Home> Hot Product Listed T   > T6661941
10018-78-7 structure

T6661941

Iupac Name:4-cyclohexyloxy-4-oxobutanoic acid
CAS No.:10018-78-7
Molecular Weight:200.234
Molecular Formula:C17H18N4O2S (isomer)
Names and Identifiers
Synonyms

2-[(5-bromothiophen-2-yl)formamido]-n-[(oxolan-2-yl)methyl]propanamide MCULE-1744349665 MOLPORT-009-074-372 Z605320426

Inchi
InChI=1S/C10H16O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChkey
CQBVVSONJDUVEJ-UHFFFAOYSA-N
Canonical Smiles
C1CCC(CC1)OC(=O)CCC(=O)O
Properties
Vapour
1.41E-05mmHg at 25°C
Refractive Index
1.484
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:200.234g/mol
  • Molecular Formula:C17H18N4O2S
  • Compound Is Canonicalized:True
  • Exact Mass:200.105
  • Monoisotopic Mass:200.105
  • Complexity:206
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:14
  • 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
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