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78-73-9 | Choline bicarbonate
CAS No: 78-73-9 Catalog No: AG0038FB MDL No:
Product Description
Catalog Number:
AG0038FB
Chemical Name:
Choline bicarbonate
CAS Number:
78-73-9
Molecular Formula:
C6H15NO4
Molecular Weight:
165.1876
IUPAC Name:
hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
InChI:
InChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1
InChI Key:
DQKGOGJIOHUEGK-UHFFFAOYSA-M
SMILES:
[O-]C(=O)O.OCC[N+](C)(C)C
EC Number:
201-137-0
UNII:
V23DAH2UHH
NSC Number:
163321
Properties
Complexity:
71.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.189g/mol
Monoisotopic Mass:
165.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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