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Home> Hot Product Listed 1   > 1H-8,9,13-[1,3]Butadien[1]yl[4]ylidene-4,6:15,18-dietheno-20,24-metheno-10H-pyrido[2,3-t][1,13,6]dio...
106291-25-2 structure

1H-8,9,13-[1,3]Butadien[1]yl[4]ylidene-4,6:15,18-dietheno-20,24-metheno-10H-pyrido[2,3-t][1,13,6]dioxaazacyclotricosine-32,33-diol,2,3,11,12,13,14,25,25a-octahydro-21,31-dimethoxy-1,12-dimethyl-, (13S,25aR)-(9CI)

Iupac Name:4-(3-fluoro-4-methoxyphenyl)benzoic acid
CAS No.:106291-25-2
Molecular Weight:246.237
Molecular Formula:C10H13NO (isomer)
Names and Identifiers
Synonyms

(12s,25r)-5,20-dimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2(1)?,(1)?.1(1)?,(2)(3).0(3),?.0?,(1)(2).0(2)?,(3)(3)]hexatriaconta-1(31),3(8),4,6,14,16,19(34),20,22,29,32,35-dodecaene-4,31-diol 1H-8,9,13-[1,3]Butadien[1]yl[4]ylidene-4,6:15,18-dietheno-20,24-metheno-10H-pyrido[2,3-t][1,13,6]dioxaazacyclotricosine-32,33-diol,2,3,11,12,13,14,25,25a-octahydro-21,31-dimethoxy-1,12-dimethyl-,[13S-(13R*,25aS*)]- AC1L4D3K berberilaurine Berbilaurine DTXSID60152857 o6-demethyllauberine PL043060 Thalman-6,6'-diol,7',12-dimethoxy-2,2'-dimethyl-, (1a)-

Inchi
InChI=1S/C14H11FO3/c1-18-13-7-6-11(8-12(13)15)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)
InChkey
FEZSDEWFHLIIFF-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)F
Properties
Boiling Point
°Cat760mmHg
Vapour
1.48E-07mmHg at 25°C
Refractive Index
1.573
Flash Point
°C
HS Code
2922299090
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:246.237g/mol
  • Molecular Formula:C10H13NO
  • Compound Is Canonicalized:True
  • Exact Mass:246.069
  • Monoisotopic Mass:246.069
  • Complexity:287
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:18
  • 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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