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26401-27-4

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Basic Information
CAS No.: 26401-27-4
Name: isooctyl diphenyl phosphite
Molecular Structure:
Molecular Structure of 26401-27-4 (isooctyl diphenyl phosphite)
Formula: C20H27O3P
Molecular Weight: 346.400341
Synonyms: Phosphorous acid 6-methylheptyldiphenyl ester;Diphenyl isooctyl phosphite;Isooctyl diphenyl phosphite;
EINECS: 247-658-7
Density: 1.035 g/cm3(Temp: 29 °C)
Boiling Point: 389.853°C at 760 mmHg
Flash Point: 234.101°C
PSA: 41.28000
LogP: 6.60430
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Specification

The Phosphorous acid,isooctyl diphenyl ester, with CAS registry number of 26401-27-4, is also known as Isooctyl diphenyl phosphite. Its IUPAC name is 6-methylheptyl diphenyl phosphite. Its chemical formula is C20H27O3P, and its molecular weight is 346.400341.

Physical properties about this chemical are: (1) XLogP3-AA: 6.8; (2) H-Bond Donor: 0; (3) H-Bond Acceptor: 3; (4) Rotatable Bond Count: 11; (5) Exact Mass: 346.169781; (6) MonoIsotopic Mass: 346.169781; (7) Topological Polar Surface Area: 27.7; (8) Heavy Atom Count 24:; (9) Formal Charge: 0; (10) Complexity: 279; (11) Isotope Atom Count: 0; (12) Defined Atom StereoCenter Count: 0; (13) Undefined Atom StereoCenter Count: 0; (14) Defined Bond StereoCenter Count: 0; (15) Undefined Bond StereoCenter Count: 0; (16) Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1) Canonical SMILES: CC(C) CCCCCOP(OC1=CC=CC=C1) OC2=CC=CC=C2
(2) InChI: InChI=1S/C20H27O3P/c1-18(2) 12-6-5-11-17-21-24(22-19-13-7-3-8-14-19) 23-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,5-6,11-12,17H2,1-2H3
(3) InChIKey: YEQHNTCMAVPEKP-UHFFFAOYSA-N