Acetonitrile-2-13C


Chemical Name: Acetonitrile-2-13C
CAS Number: 1722-09-4
Product Number: AG00ALXY(AGN-PC-0QA1DS)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
42.045g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
42.03g/mol
Monoisotopic Mass:
42.03g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
3
Formal Charge:
0
Complexity:
29.3
Isotope Atom Count:
1
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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