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178461-51-3 | Acetic acid, 2-hydroxy-, compd. with N,N-diethylethanamine (1:1)
CAS No: 178461-51-3 Catalog No: AG002622 MDL No:
Product Description
Catalog Number:
AG002622
Chemical Name:
Acetic acid, 2-hydroxy-, compd. with N,N-diethylethanamine (1:1)
CAS Number:
178461-51-3
Molecular Formula:
C8H19NO3
Molecular Weight:
177.2414
IUPAC Name:
N,N-diethylethanamine;2-hydroxyacetic acid
InChI:
InChI=1S/C6H15N.C2H4O3/c1-4-7(5-2)6-3;3-1-2(4)5/h4-6H2,1-3H3;3H,1H2,(H,4,5)
InChI Key:
FLSKJMXGEDRJKT-UHFFFAOYSA-N
SMILES:
CCN(CC)CC.OCC(=O)O
Properties
Complexity:
65.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.244g/mol
Monoisotopic Mass:
177.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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