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87081-58-1 | Sodium bicarbonate-(13-C)
CAS No: 87081-58-1 Catalog No: AG004LL5 MDL No:
Product Description
Catalog Number:
AG004LL5
Chemical Name:
Sodium bicarbonate-(13-C)
CAS Number:
87081-58-1
Molecular Formula:
CH2NaO3
Molecular Weight:
86.0072
IUPAC Name:
dihydroxy(113C)methanone;sodium
InChI:
InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/i1+1;
InChI Key:
WJEIYVAPNMUNIU-YTBWXGASSA-N
SMILES:
O[13C](=O)O.[Na]
Properties
Complexity:
26.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
85.994g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
1
Molecular Weight:
86.006g/mol
Monoisotopic Mass:
85.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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