2-butoxy-1-(2,4-dih...

2-butoxy-1-(2,4-dihydroxyphenyl)ethanone 5330-85-8

2-butoxy-1-(2,4-dihydroxyphenyl)ethanone 5330-85-8

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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2-butoxy-1-(2,4-dihydroxyphenyl)ethanone 5330-85-8 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
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Details:

Identification and Related Records
【Name】
2-butoxy-1-(2,4-dihydroxyphenyl)ethanone
【Iupac name】
2-butoxy-1-(2,4-dihydroxyphenyl)ethanone
【CAS Registry number】
5330-85-8
【Synonyms】
2-butoxy-1-(2,4-dihydroxyphenyl)ethanone
5330-85-8
NSC2530
AC1Q5EDV
AC1L58CO
NSC-2530
AR-1D9774
4-(BUTOXYACETYL)-1,3-DIHYDROXYBENZENE
【Molecular Formula】
C12H16O4 (Products with the same molecular formula)
【Molecular Weight】
224.253
【Inchi】
InChI=1/C12H16O4/c1-2-3-6-16-8-12(15)10-5-4-9(13)7-11(10)14/h4-5,7,13-14H,2-3,6,8H2,1H3
【Canonical SMILES】
CCCCOCC(=O)C1=C(C=C(C=C1)O)O
【MOL File】
5330-85-8.mol
Chemical and Physical Properties
【Density】
1.178g/cm3
【Boiling Point】
387.6°C at 760 mmHg
【Refractive Index】
1.546
【Flash Point】
148°C
【Computed Properties】
Molecular Weight:224.25304 [g/mol]
Molecular Formula:C12H16O4
XLogP3-AA:2.6
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:6
Tautomer Count:21
Exact Mass:224.104859
MonoIsotopic Mass:224.104859
Topological Polar Surface Area:66.8
Heavy Atom Count:16
Formal Charge:0
Complexity:217
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:80

 

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