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1758-45-8 | Phenol, 4-(1,1,3,3-tetramethylbutyl)-, 1,1'-(hydrogen phosphate)
CAS No: 1758-45-8 Catalog No: AG00217P MDL No:
Product Description
Catalog Number:
AG00217P
Chemical Name:
Phenol, 4-(1,1,3,3-tetramethylbutyl)-, 1,1'-(hydrogen phosphate)
CAS Number:
1758-45-8
Molecular Formula:
C28H43O4P
Molecular Weight:
474.6124
IUPAC Name:
bis[4-(2,4,4-trimethylpentan-2-yl)phenyl] hydrogen phosphate
InChI:
InChI=1S/C28H43O4P/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)31-33(29,30)32-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18H,19-20H2,1-10H3,(H,29,30)
InChI Key:
CJMDDRXHXPXLMJ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(CC(C)(C)C)(C)C)O)(CC(C)(C)C)C
EC Number:
217-152-0
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.29g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
474.622g/mol
Monoisotopic Mass:
474.29g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
Literature
| Title | Journal |
|---|---|
| The double K+/Ca2+ sensor based on laser scanned silicon transducer (LSST) for multi-component analysis. | Talanta 20030310 |
| Determination of hardness in tapwater and upland soil extracts using a long-term stable divalent cation selective electrode based on a lipophilic acrylate resin as a membrane matrix. | Talanta 20010913 |
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