Ethanone, 1-(phenyl-d5)-


Chemical Name: Ethanone, 1-(phenyl-d5)-
CAS Number: 28077-64-7
Product Number: AG00BEDR(AGN-PC-0R3N8I)
Synonyms:
MDL No:
Molecular Formula: C8H3D5O
Molecular Weight: 125.1793

Identification/Properties


Computed Properties
Molecular Weight:
125.182g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
125.089g/mol
Monoisotopic Mass:
125.089g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
101
Isotope Atom Count:
5
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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