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Home> Hot Product Listed C   > Crotonic acid,3-hydroxy-, 2-(2-ethoxyethoxy)ethyl ester, diethyl phosphate, (Z)- (8CI)
15848-30-3 structure

Crotonic acid,3-hydroxy-, 2-(2-ethoxyethoxy)ethyl ester, diethyl phosphate, (Z)- (8CI)

Iupac Name:2-piperidin-4-ylacetaldehyde
CAS No.:15848-30-3
EINECS(EC#): 618-053-9
Molecular Weight:127.187
Molecular Formula:C19H15CS (isomer)
Names and Identifiers
Synonyms

AC1LGW8E AC1Q5M4N acetamide, N-(3,5-dimethylphenyl)-2-(2-naphthalenyloxy)- AG-670/36580036 AKOS003260963 BIM-0037980.P001 CBMICRO_037911 MOLPORT-002-807-638 n-(3,5-dimethylphenyl)-2-(2-naphthyloxy)acetamide n-(3,5-dimethylphenyl)-2-(naphthalen-2-yloxy)acetamide n-(3,5-dimethylphenyl)-2-naphthalen-2-yloxyacetamide OPREA1_153188 STK031366 ZINC447104

Inchi
InChI=1S/C7H13NO/c9-6-3-7-1-4-8-5-2-7/h6-8H,1-5H2
InChkey
UHPODXWWSMJMMM-UHFFFAOYSA-N
Canonical Smiles
C1CNCCC1CC=O
Properties
Density
1.022
Boiling Point
322.8°Cat760mmHg
Computational chemical data
  • Molecular Weight:127.187g/mol
  • Molecular Formula:C19H15CS
  • Compound Is Canonicalized:True
  • Exact Mass:127.1
  • Monoisotopic Mass:127.1
  • Complexity:86.9
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.1A^2
  • Heavy Atom Count:9
  • 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: AAADccBiIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAADQDhgAYAAALAAAAI AAgQgAAAAAAAAAAAAIEIAAAAABIAgAAEAAAAEACAAAAYAQAKAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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