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22919-56-8 | Octanoic acid, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CAS No: 22919-56-8 Catalog No: AG000647 MDL No:
Product Description
Catalog Number:
AG000647
Chemical Name:
Octanoic acid, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CAS Number:
22919-56-8
Molecular Formula:
C14H31NO5
Molecular Weight:
293.3996
IUPAC Name:
2-[bis(2-hydroxyethyl)amino]ethanol;octanoic acid
InChI:
InChI=1S/C8H16O2.C6H15NO3/c1-2-3-4-5-6-7-8(9)10;8-4-1-7(2-5-9)3-6-10/h2-7H2,1H3,(H,9,10);8-10H,1-6H2
InChI Key:
FMBWBTOMBLRYPD-UHFFFAOYSA-N
SMILES:
OCCN(CCO)CCO.CCCCCCCC(=O)O
UNII:
44WCC06CKU
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.22g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
293.404g/mol
Monoisotopic Mass:
293.22g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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