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14806-72-5 | Ethanol, 2,2',2''-nitrilotris-, acetate (1:1)
CAS No: 14806-72-5 Catalog No: AG001FF0 MDL No:
Product Description
Catalog Number:
AG001FF0
Chemical Name:
Ethanol, 2,2',2''-nitrilotris-, acetate (1:1)
CAS Number:
14806-72-5
Molecular Formula:
C8H19NO5
Molecular Weight:
209.2402
IUPAC Name:
tris(2-hydroxyethyl)azanium;acetate
InChI:
InChI=1S/C6H15NO3.C2H4O2/c8-4-1-7(2-5-9)3-6-10;1-2(3)4/h8-10H,1-6H2;1H3,(H,3,4)
InChI Key:
UPCXAARSWVHVLY-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCCN(CCO)CCO
EC Number:
238-874-2
Properties
Complexity:
81.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
209.242g/mol
Monoisotopic Mass:
209.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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