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166047-82-1 | Dodecanoic acid, 12-(triphenylmethoxy)-
CAS No: 166047-82-1 Catalog No: AG001WGE MDL No:
Product Description
Catalog Number:
AG001WGE
Chemical Name:
Dodecanoic acid, 12-(triphenylmethoxy)-
CAS Number:
166047-82-1
Molecular Formula:
C31H38O3
Molecular Weight:
458.6316
IUPAC Name:
12-trityloxydodecanoic acid
InChI:
InChI=1S/C31H38O3/c32-30(33)25-17-6-4-2-1-3-5-7-18-26-34-31(27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29/h8-16,19-24H,1-7,17-18,25-26H2,(H,32,33)
InChI Key:
YSGUXFHWOYQRNP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.282g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
458.642g/mol
Monoisotopic Mass:
458.282g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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