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16530-72-6 | Octanoic acid, compd. with 2,2'-iminobis[ethanol] (1:1)
CAS No: 16530-72-6 Catalog No: AG000648 MDL No:
Product Description
Catalog Number:
AG000648
Chemical Name:
Octanoic acid, compd. with 2,2'-iminobis[ethanol] (1:1)
CAS Number:
16530-72-6
Molecular Formula:
C12H27NO4
Molecular Weight:
249.3471
IUPAC Name:
2-(2-hydroxyethylamino)ethanol;octanoic acid
InChI:
InChI=1S/C8H16O2.C4H11NO2/c1-2-3-4-5-6-7-8(9)10;6-3-1-5-2-4-7/h2-7H2,1H3,(H,9,10);5-7H,1-4H2
InChI Key:
YKHDBTDLVBKFDZ-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)O.OCCNCCO
EC Number:
240-600-1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.194g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
249.351g/mol
Monoisotopic Mass:
249.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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