Name: Name:4-(2,2-dimethylpropyl)benzoic acid
Brand: AABLOCKS
SKU: AA01A0FH
Rating: 90 (10 reviews)

Catalog No.: AA01A0FH

65687-52-7 | 4-(2,2-dimethylpropyl)benzoic acid

Pack Size： 100mg

Purity： 95%

1 week

$157.00 $110.00

Pack Size： 250mg

Purity： 95%

1 week

$267.00 $187.00

Pack Size： 1g

Purity： 95%

1 week

$717.00 $502.00

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Technical Information

Catalog Number: AA01A0FH

Chemical Name: 4-(2,2-dimethylpropyl)benzoic acid

CAS Number: 65687-52-7

Molecular Formula: C12H16O2

Molecular Weight: 192.2542

MDL Number: MFCD09260798

SMILES: OC(=O)c1ccc(cc1)CC(C)(C)C

Properties

Form: Solid

Complexity: 195

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 4.1

Downstream Synthesis Route

65687-52-7

32018-31-8

[1]Blomquist;Westfahl[JournaloftheAmericanChemicalSociety,1953,vol.75,p.2304,2306]

65687-52-7

30127-47-0

79127-09-6

[1]vanBekkumetal.[ProceedingsoftheKoninklijkeNederlandseAkademievanWetenschappen,SeriesB:PhysicalSciences,1959,vol.<B>62,p.147]

[2]vanBekkumetal.[ProceedingsoftheKoninklijkeNederlandseAkademievanWetenschappen,SeriesB:PhysicalSciences,1959,vol.<B>62,p.147]

24797-40-8

65687-52-7

[1]Reuvers,A.J.M.etal.[Tetrahedron,1970,vol.26,p.2683-2694]

635702-23-7

65687-52-7

(4-{5-4-(2,2-dimethyl-propyl)-phenyl-1,2,4oxadiazol-3-yl}-phenyl)-methanol

[1]Li,Zhen;Chen,Weirong;Hale,JeffreyJ.;Lynch,ChristopherL.;Mills,SanderG.;Hajdu,Richard;Keohane,CarolAnn;Rosenbach,MarkJ.;Milligan,JamesA.;Shei,Gan-Ju;Chrebet,Gary;Parent,StephenA.;Bergstrom,James;Card,Deborah;Forrest,Michael;Quackenbush,ElizabethJ.;Wickham,L.Alexandra;Vargas,Hugo;Evans,RoseM.;Rosen,Hugh;Mandala,Suzanne[JournalofMedicinalChemistry,2005,vol.48,#20,p.6169-6173]