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20475-12-1 | Propanoic acid, 2-hydroxy-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CAS No: 20475-12-1 Catalog No: AG0029P2 MDL No:
Product Description
Catalog Number:
AG0029P2
Chemical Name:
Propanoic acid, 2-hydroxy-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CAS Number:
20475-12-1
Molecular Formula:
C9H21NO6
Molecular Weight:
239.2661
IUPAC Name:
2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid
InChI:
InChI=1S/C6H15NO3.C3H6O3/c8-4-1-7(2-5-9)3-6-10;1-2(4)3(5)6/h8-10H,1-6H2;2,4H,1H3,(H,5,6)
InChI Key:
RJQQOKKINHMXIM-UHFFFAOYSA-N
SMILES:
OC(=O)C(O)C.OCCN(CCO)CCO
EC Number:
243-846-8
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
239.268g/mol
Monoisotopic Mass:
239.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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