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Betaine citrate

CAS No.:
17671-50-0
Catalog Number:
AG0024VC
Molecular Formula:
C11H19NO9
Molecular Weight:
309.2699
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Product Description
Catalog Number:
AG0024VC
Chemical Name:
Betaine citrate
CAS Number:
17671-50-0
Molecular Formula:
C11H19NO9
Molecular Weight:
309.2699
MDL Number:
MFCD06411579
IUPAC Name:
2-hydroxypropane-1,2,3-tricarboxylic acid;2-(trimethylazaniumyl)acetate
InChI:
InChI=1S/C6H8O7.C5H11NO2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5(7)8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H2,1-3H3
InChI Key:
YKXUOESQDCXGIW-UHFFFAOYSA-N
SMILES:
[O-]C(=O)CC(C(=O)O)(CC(=O)O)O.OC(=O)C[N+](C)(C)C
EC Number:
241-648-6
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.106g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
309.271g/mol
Monoisotopic Mass:
309.106g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties