5-Acetyl-2-methoxyb...

5-Acetyl-2-methoxybenzaldehyde 531-99-7

5-Acetyl-2-methoxybenzaldehyde 531-99-7

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

3-Acetyl-6-methoxybenzaldehyde 5-Acetyl-2-methoxybenzaldehyde 531-99-7

Quick Details

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

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Details:

Identification and Related Records
【Name】
5-Acetyl-2-methoxybenzaldehyde
【Iupac name】
5-acetyl-2-methoxybenzaldehyde
【CAS Registry number】
531-99-7
【Synonyms】
3-Acetyl-6-methoxybenzaldehyde
5-Acetyl-2-anisaldehyde
5-Acetyl-2-methoxybenzaldehyde
【Molecular Formula】
C10H10O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C10H10O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-6H,1-2H3
【Canonical SMILES】
CC(=O)C1=CC(=C(C=C1)OC)C=O
【MOL File】
531-99-7.mol
Chemical and Physical Properties
【Density】
1.137g/cm3
【Boiling Point】
332.9°C at 760 mmHg
【Refractive Index】
1.547
【Flash Point】
149°C
【Computed Properties】
Molecular Weight:178.1846 [g/mol]
Molecular Formula:C10H10O3
XLogP3-AA:1
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:178.062994
MonoIsotopic Mass:178.062994
Topological Polar Surface Area:43.4
Heavy Atom Count:13
Formal Charge:0
Complexity:200
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:3
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:10

 

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