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126766-52-7 | Ethanone, 1-[3-(hydroxymethyl)-1-piperazinyl]-
CAS No: 126766-52-7 Catalog No: AG000T7W MDL No:MFCD18815721
Product Description
Catalog Number:
AG000T7W
Chemical Name:
Ethanone, 1-[3-(hydroxymethyl)-1-piperazinyl]-
CAS Number:
126766-52-7
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
MDL Number:
MFCD18815721
IUPAC Name:
1-[3-(hydroxymethyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C7H14N2O2/c1-6(11)9-3-2-8-7(4-9)5-10/h7-8,10H,2-5H2,1H3
InChI Key:
DGUZPMRLCVSJPU-UHFFFAOYSA-N
SMILES:
CC(=O)N1CC(CO)NCC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.201g/mol
Monoisotopic Mass:
158.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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