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102176-31-8 | Phosphoric acid, diethyl 4-(1,1,3,3-tetramethylbutyl)phenyl ester
CAS No: 102176-31-8 Catalog No: AG0006T8 MDL No:
Product Description
Catalog Number:
AG0006T8
Chemical Name:
Phosphoric acid, diethyl 4-(1,1,3,3-tetramethylbutyl)phenyl ester
CAS Number:
102176-31-8
Molecular Formula:
C18H31O4P
Molecular Weight:
342.4101
IUPAC Name:
diethyl [4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate
InChI:
InChI=1S/C18H31O4P/c1-8-20-23(19,21-9-2)22-16-12-10-15(11-13-16)18(6,7)14-17(3,4)5/h10-13H,8-9,14H2,1-7H3
InChI Key:
OQBQHVIVXDQRFY-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Oc1ccc(cc1)C(CC(C)(C)C)(C)C)OCC
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.196g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.416g/mol
Monoisotopic Mass:
342.196g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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