CAS 603-44-1 | 4,4',4''-Methanetriyltriphenol | CAS Number 603-44-1

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603-44-1 | 4,4',4''-Methanetriyltriphenol

CAS No: 603-44-1 Catalog No: AG003KCY MDL No:MFCD00191589

Product Description

Catalog Number:

AG003KCY

Chemical Name:

4,4',4''-Methanetriyltriphenol

CAS Number:

603-44-1

Molecular Formula:

C19H16O3

Molecular Weight:

292.3285

MDL Number:

MFCD00191589

IUPAC Name:

4-[bis(4-hydroxyphenyl)methyl]phenol

InChI:

InChI=1S/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H

InChI Key:

WFCQTAXSWSWIHS-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)C(c1ccc(cc1)O)c1ccc(cc1)O

EC Number:

210-040-2

NSC Number:

75955

Properties

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

292.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

292.334g/mol

Monoisotopic Mass:

292.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
4,4',4''-(Methane-triyl)triphenyl tris-(2,2,5,5-tetra-methyl-1-oxyl-3-pyrroline-3-carboxyl-ate) benzene tris-olvate.	Acta crystallographica. Section E, Structure reports online 20100401
Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine.	Acta crystallographica. Section C, Crystal structure communications 20030801