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89026-22-2 | Tris(2-hydroxyethyl)ammonium (2-naphthyloxy)acetate
CAS No: 89026-22-2 Catalog No: AG0044C2 MDL No:
Product Description
Catalog Number:
AG0044C2
Chemical Name:
Tris(2-hydroxyethyl)ammonium (2-naphthyloxy)acetate
CAS Number:
89026-22-2
Molecular Formula:
C18H25NO6
Molecular Weight:
351.3942
IUPAC Name:
2-naphthalen-2-yloxyacetate;tris(2-hydroxyethyl)azanium
InChI:
InChI=1S/C12H10O3.C6H15NO3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11;8-4-1-7(2-5-9)3-6-10/h1-7H,8H2,(H,13,14);8-10H,1-6H2
InChI Key:
ZWGDPPZBIBCVLL-UHFFFAOYSA-N
SMILES:
[O-]C(=O)COc1ccc2c(c1)cccc2.OCC[NH+](CCO)CCO
EC Number:
289-461-9
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
351.399g/mol
Monoisotopic Mass:
351.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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