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Home> Hot Product Listed D   > Docosanoic acid,2-hydroxy-, methyl ester
1193272-59-1 structure

Docosanoic acid,2-hydroxy-, methyl ester

Iupac Name:2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
CAS No.:1193272-59-1
Molecular Weight:332.846
Molecular Formula:O12SI3Y4 (isomer)
Names and Identifiers
Synonyms

2-hydroxydocosanoic acid methyl ester AC1LBXX1 AC1Q5YVS AK-59090 AKOS022181045 c-55208 docosanoic acid, 2-hydroxy-, methyl ester DTXSID00340635 KUHHQOLYDNMSJW-UHFFFAOYSA-N methyl 2-hydroxybehenate, >=98% (capillary gc) methyl 2-hydroxydocosanoate Methyl2-hydroxydocosanoate SCHEMBL3182155

Inchi
InChI=1S/C17H17ClN2OS/c1-9(2)14-8-22-17(20-14)13-7-12(18)11-5-6-15(21-4)10(3)16(11)19-13/h5-9H,1-4H3
InChkey
PNVZYJFBBFNRPK-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=CC2=C1N=C(C=C2Cl)C3=NC(=CS3)C(C)C)OC
Properties
Flash Point
8℃
Storage temp
2-8°C
Computational chemical data
  • Molecular Weight:332.846g/mol
  • Molecular Formula:O12SI3Y4
  • Compound Is Canonicalized:True
  • Exact Mass:332.075
  • Monoisotopic Mass:332.075
  • Complexity:384
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:63.2A^2
  • Heavy Atom Count:22
  • 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: AAADceB7IABEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAACx/AAAHgYAAAAADQ6F3iKyx/IIFAik AyRiRACC+KBhLzgImDQ2bpgMZuLls5uUMChmwBno6AeQ0OMOIAACAgAKAABAAAQEABQAAAAAAAAA AA==
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