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Home> Encyclopedia > Hot Product Listed 5   > 5-Pyrimidinecarboxylicacid, 1-cyclohexyl-1,2,3,4-tetrahydro-2,4-dioxo-
959578-32-6 structure

5-Pyrimidinecarboxylicacid, 1-cyclohexyl-1,2,3,4-tetrahydro-2,4-dioxo-

Iupac Name:(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(thiophen-2-ylmethyl)pyrrolidine-2-carboxylic acid
CAS No.:959578-32-6
Molecular Weight:311.396
Molecular Formula:C18H14O2 (isomer)
Names and Identifiers
Synonyms

1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid 1-cyclohexyl-2,4-dioxo-3h-pyrimidine-5-carboxylic acid 1-cyclohexyl-2,4-dioxo-pyrimidine-5-carboxylic acid 1-cyclohexyl-2,4-dioxopyrimidine-5-carboxylic acid 1-cyclohexyl-2,4-dioxo-pyrimidine-5-carboxylicacid AC1L66OK AC1Q5T1E AK222829 AKOS017548321 BG00945063 CTK1C4082 DTXSID10286914 NSC 48256 nsc48256 nsc-48256 Z2299 ZINC1679722

Inchi
InChI=1S/C15H21NO4S/c1-14(2,3)20-13(19)16-8-5-7-15(16,12(17)18)10-11-6-4-9-21-11/h4,6,9H,5,7-8,10H2,1-3H3,(H,17,18)/t15-/m1/s1
InChkey
DDYQQTCCFAWKHK-OAHLLOKOSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCCC1(CC2=CC=CS2)C(=O)O
Properties
Boiling Point
668°C at 760 mmHg
Flash Point
223.9°C
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:311.396g/mol
  • Molecular Formula:C18H14O2
  • Compound Is Canonicalized:True
  • Exact Mass:311.119
  • Monoisotopic Mass:311.119
  • Complexity:420
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:21
  • 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
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