Citric acid-<sup>13</sup>C<sub>6</sub>


Chemical Name: Citric acid-<sup>13</sup>C<sub>6</sub>
CAS Number: 287389-42-8
Product Number: AG00BO9M(AGN-PC-0WAHYU)
Synonyms:
MDL No:
Molecular Formula: C6H8O7
Molecular Weight: 198.079449028

Identification/Properties


Computed Properties
Molecular Weight:
198.077g/mol
XLogP3:
-1.7
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
198.047g/mol
Monoisotopic Mass:
198.047g/mol
Topological Polar Surface Area:
132A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
227
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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