CAS 3050-88-2 | Phenol, 4-nonyl-, phosphite (3:1) | CAS Number 3050-88-2

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3050-88-2 | Phenol, 4-nonyl-, phosphite (3:1)

CAS No: 3050-88-2 Catalog No: AG0030EM MDL No:MFCD00015301

Product Description

Catalog Number:

AG0030EM

Chemical Name:

Phenol, 4-nonyl-, phosphite (3:1)

CAS Number:

3050-88-2

Molecular Formula:

C45H75O6P

Molecular Weight:

743.0472

MDL Number:

MFCD00015301

IUPAC Name:

tris(4-nonylphenyl) phosphite

InChI:

InChI=1S/C45H69O3P/c1-4-7-10-13-16-19-22-25-40-28-34-43(35-29-40)46-49(47-44-36-30-41(31-37-44)26-23-20-17-14-11-8-5-2)48-45-38-32-42(33-39-45)27-24-21-18-15-12-9-6-3/h28-39H,4-27H2,1-3H3

InChI Key:

MGMXGCZJYUCMGY-UHFFFAOYSA-N

SMILES:

OP(O)O.CCCCCCCCCc1ccc(cc1)O.CCCCCCCCCc1ccc(cc1)O.CCCCCCCCCc1ccc(cc1)O

EC Number:

608-492-4

UNII:

E423N4NW2Z

Properties

Complexity:

613

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

688.498g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

689.018g/mol

Monoisotopic Mass:

688.498g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

19.3

Literature

Title	Journal
Most plastic products release estrogenic chemicals: a potential health problem that can be solved.	Environmental health perspectives 20110701
Estrogenic activities of chemicals related to food contact plastics and rubbers tested by the yeast two-hybrid assay.	Food additives and contaminants 20060401