4-tert-Octylphenol-diethoxylate-ring-13C6 solution


Chemical Name: 4-tert-Octylphenol-diethoxylate-ring-13C6 solution
CAS Number: 1173020-69-3
Product Number: AG000E2N(AGN-PC-0WAG7S)
Synonyms:
MDL No:
Molecular Formula: C18H30O3
Molecular Weight: 300.3849

Identification/Properties


Computed Properties
Molecular Weight:
300.389g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
9
Exact Mass:
300.24g/mol
Monoisotopic Mass:
300.24g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
273
Isotope Atom Count:
6
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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