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10246-68-1 | Nonanoic acid, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CAS No: 10246-68-1 Catalog No: AG0007JO MDL No:
Product Description
Catalog Number:
AG0007JO
Chemical Name:
Nonanoic acid, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CAS Number:
10246-68-1
Molecular Formula:
C15H33NO5
Molecular Weight:
307.4262
IUPAC Name:
2-[bis(2-hydroxyethyl)amino]ethanol;nonanoic acid
InChI:
InChI=1S/C9H18O2.C6H15NO3/c1-2-3-4-5-6-7-8-9(10)11;8-4-1-7(2-5-9)3-6-10/h2-8H2,1H3,(H,10,11);8-10H,1-6H2
InChI Key:
ULLYHMPWFCYBEO-UHFFFAOYSA-N
SMILES:
OCCN(CCO)CCO.CCCCCCCCC(=O)O
EC Number:
233-581-6
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.236g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
307.431g/mol
Monoisotopic Mass:
307.236g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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