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85851-91-8 | Isodecyl nonyl phthalate
CAS No: 85851-91-8 Catalog No: AG004R4U MDL No:
Product Description
Catalog Number:
AG004R4U
Chemical Name:
Isodecyl nonyl phthalate
CAS Number:
85851-91-8
Molecular Formula:
C27H44O4
Molecular Weight:
432.6359
IUPAC Name:
2-O-(8-methylnonyl) 1-O-nonyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C27H44O4/c1-4-5-6-7-8-11-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-17-12-9-10-13-18-23(2)3/h14-15,19-20,23H,4-13,16-18,21-22H2,1-3H3
InChI Key:
KWZPQPGUAYDHMD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C
EC Number:
288-651-9
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.324g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.645g/mol
Monoisotopic Mass:
432.324g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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