CAS 81-90-3 | Phenolphthalin [for redox indicator], 98% | CAS Number 81-90-3

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81-90-3 | Phenolphthalin [for redox indicator], 98%

CAS No: 81-90-3 Catalog No: AG003TOE MDL No:MFCD00036135

Product Description

Catalog Number:

AG003TOE

Chemical Name:

Phenolphthalin [for redox indicator], 98%

CAS Number:

81-90-3

Molecular Formula:

C20H16O4

Molecular Weight:

320.3386

MDL Number:

MFCD00036135

IUPAC Name:

2-[bis(4-hydroxyphenyl)methyl]benzoic acid

InChI:

InChI=1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24)

InChI Key:

FFFPYJTVNSSLBQ-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)C(c1ccccc1C(=O)O)c1ccc(cc1)O

EC Number:

201-384-4

Properties

Complexity:

386

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.344g/mol

Monoisotopic Mass:

320.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Tetra-ethyl-ammonium 2-[bis-(4-hy-droxy-phen-yl)meth-yl]benzoate.	Acta crystallographica. Section E, Structure reports online 20111201
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	Journal of molecular graphics & modelling 20061101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501