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26401-27-4 | Phosphorous acid, isooctyl diphenyl ester
CAS No: 26401-27-4 Catalog No: AG002T33 MDL No:
Product Description
Catalog Number:
AG002T33
Chemical Name:
Phosphorous acid, isooctyl diphenyl ester
CAS Number:
26401-27-4
Molecular Formula:
C20H27O3P
Molecular Weight:
346.4003
IUPAC Name:
6-methylheptyl diphenyl phosphite
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
InChI Key:
YEQHNTCMAVPEKP-UHFFFAOYSA-N
SMILES:
CC(CCCCCOP(Oc1ccccc1)Oc1ccccc1)C
EC Number:
247-658-7
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.17g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.407g/mol
Monoisotopic Mass:
346.17g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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