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117320-30-6 | Phenol, 2-(ethoxy-1,1,2,2,2-d5)-
CAS No: 117320-30-6 Catalog No: AG000E4B MDL No:
Product Description
Catalog Number:
AG000E4B
Chemical Name:
Phenol, 2-(ethoxy-1,1,2,2,2-d5)-
CAS Number:
117320-30-6
Molecular Formula:
C8H5D5O2
Molecular Weight:
143.1946
IUPAC Name:
2-(1,1,2,2,2-pentadeuterioethoxy)phenol
InChI:
InChI=1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3/i1D3,2D2
InChI Key:
MOEFFSWKSMRFRQ-ZBJDZAJPSA-N
SMILES:
Oc1ccccc1OC(C([2H])([2H])[2H])([2H])[2H]
Properties
Complexity:
93.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
5
Molecular Weight:
143.197g/mol
Monoisotopic Mass:
143.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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