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89196-78-1 | Sodium pyruvate-2,3-13C2
CAS No: 89196-78-1 Catalog No: AG003VZ8 MDL No:
Product Description
Catalog Number:
AG003VZ8
Chemical Name:
Sodium pyruvate-2,3-13C2
CAS Number:
89196-78-1
Molecular Formula:
C3H3NaO3
Molecular Weight:
112.0292
IUPAC Name:
sodium;2-oxo(2,3-13C2)propanoate
InChI:
InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1/i1+1,2+1;
InChI Key:
DAEPDZWVDSPTHF-AWQJXPNKSA-M
SMILES:
[13CH3][13C](=O)C(=O)[O-].[Na+]
Properties
Complexity:
88.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.005g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
2
Molecular Weight:
112.028g/mol
Monoisotopic Mass:
112.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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