CAS 84501-28-0 | 5-(tert-Butyl);-2-hydroxyisophthalaldehyde | CAS Number 84501-28-0

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84501-28-0 | 5-(tert-Butyl);-2-hydroxyisophthalaldehyde

CAS No: 84501-28-0 Catalog No: AG003M80 MDL No:MFCD01567135

Product Description

Catalog Number:

AG003M80

Chemical Name:

5-(tert-Butyl);-2-hydroxyisophthalaldehyde

CAS Number:

84501-28-0

Molecular Formula:

C12H14O3

Molecular Weight:

206.2378

MDL Number:

MFCD01567135

IUPAC Name:

5-tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde

InChI:

InChI=1S/C12H14O3/c1-12(2,3)10-4-8(6-13)11(15)9(5-10)7-14/h4-7,15H,1-3H3

InChI Key:

WQNTWZJPCLUXQC-UHFFFAOYSA-N

SMILES:

O=Cc1cc(cc(c1O)C=O)C(C)(C)C

Properties

Complexity:

224

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.241g/mol

Monoisotopic Mass:

206.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Controlling the macrocycle size by the stoichiometry of the applied template ion.	Chemical communications (Cambridge, England) 20120221
Binuclear Robson type Ni(ii) complex as a reactant supplementing our knowledge of the orientation effects in electrochemical kinetics.	Physical chemistry chemical physics : PCCP 20080507
Synthesis, characterization and properties of some divalent metal(II) complexes: their electrochemical, catalytic, thermal and antimicrobial activity studies.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070701