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100781-90-6 | Phosphorous acid, octadecyl diphenyl ester
CAS No: 100781-90-6 Catalog No: AG0002V5 MDL No:
Product Description
Catalog Number:
AG0002V5
Chemical Name:
Phosphorous acid, octadecyl diphenyl ester
CAS Number:
100781-90-6
Molecular Formula:
C30H47O3P
Molecular Weight:
486.6661
IUPAC Name:
octadecyl diphenyl phosphite
InChI:
InChI=1S/C30H47O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-31-34(32-29-24-19-17-20-25-29)33-30-26-21-18-22-27-30/h17-22,24-27H,2-16,23,28H2,1H3
InChI Key:
XWVBBZPIFHEHHM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.326g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.677g/mol
Monoisotopic Mass:
486.326g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.5
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