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Home> Hot Product Listed P   > Phenol,2-(3-hydroxy-5-methylphenoxy)-3-methoxy-5-methyl-
1184751-70-9 structure

Phenol,2-(3-hydroxy-5-methylphenoxy)-3-methoxy-5-methyl-

Iupac Name:1-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
CAS No.:1184751-70-9
Molecular Weight:226.32
Molecular Formula:(C2H4O)N(C2H4O)NC20H43NO5S (isomer)
Names and Identifiers
Synonyms

2-Hydroxy-6-methoxy-4-methylphenyl3-hydroxy-5-methylphenyl ether LL-V 125a ll-v-125alpha m-Cresol,5'-methoxy-5,6'-oxydi- (8CI)

Inchi
InChI=1S/C12H22N2O2/c1-3-12(15-9-10-16-12)4-2-11(1)14-7-5-13-6-8-14/h11,13H,1-10H2
InChkey
QKVRNVRGDPVBCE-UHFFFAOYSA-N
Canonical Smiles
C1CC2(CCC1N3CCNCC3)OCCO2
Properties
Boiling Point
424°Cat760mmHg
Flash Point
130.8°C
Computational chemical data
  • Molecular Weight:226.32g/mol
  • Molecular Formula:(C2H4O)N(C2H4O)NC20H43NO5S
  • Compound Is Canonicalized:True
  • Exact Mass:226.168
  • Monoisotopic Mass:226.168
  • Complexity:225
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:33.7A^2
  • Heavy Atom Count:16
  • 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: AAADceBzMAAAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAAAAAAAAHgAQAAAACCzhgAYACAPABAAA AAAAAAAAAAAAAAAAAIAIAAARQAIAgAA2AAAEEACGAAGwQAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAA AA==
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