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145545-15-9 | Phosphoric acid, bis(1,1-dimethylethyl) 2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl ester
CAS No: 145545-15-9 Catalog No: AG001D6D MDL No:
Product Description
Catalog Number:
AG001D6D
Chemical Name:
Phosphoric acid, bis(1,1-dimethylethyl) 2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl ester
CAS Number:
145545-15-9
Molecular Formula:
C26H37O8P
Molecular Weight:
508.5409
IUPAC Name:
[3,4-ditert-butyl-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
InChI:
InChI=1S/C26H37O8P/c1-25(2,3)21-17(12-11-16-13-18(30-7)23(32-9)19(14-16)31-8)15-20(34-35(27,28)29)24(33-10)22(21)26(4,5)6/h11-15H,1-10H3,(H2,27,28,29)/p-2
InChI Key:
NCQKZSYNPBVZEG-UHFFFAOYSA-L
SMILES:
COc1ccc(cc1OP(=O)(OC(C)(C)C)OC(C)(C)C)/C=C\c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
711
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.207g/mol
Formal Charge:
-2
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.532g/mol
Monoisotopic Mass:
506.207g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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