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Home> Hot Product Listed N   > N-(3-hydroxypropyl)-2-(isopropyl)-5-methylcyclohexanecarboxamide
62949-79-5 structure

N-(3-hydroxypropyl)-2-(isopropyl)-5-methylcyclohexanecarboxamide

Iupac Name:2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,
8-bis(3-methylbut-2-enyl)chromen-4-one
CAS No.:62949-79-5
EINECS(EC#): 254-579-1
Molecular Weight:422.47034
Molecular Formula:C6H9N3O2 (isomer)
Names and Identifiers
Synonyms

N-(3-Hydroxypropyl)-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide

Inchi
InChI=1/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
Canonical Smiles
CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)CC=C(C)C)C3=C(C=C(C=C3)O)O)O)O)C
Properties
Refractive Index
1.642
Flash Point
138.5°C
Computational chemical data
  • Molecular Weight:422.47034g/mol
  • Molecular Formula:C6H9N3O2
  • Exact Mass:422.172939
  • Monoisotopic Mass:422.172939
  • Complexity:758
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:107
  • Heavy Atom Count:31
  • 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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Recommended Suppliers
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