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100500-89-8 | 1-Propanone, 2-hydroxy-1-(1-piperazinyl)-
CAS No: 100500-89-8 Catalog No: AG00026B MDL No:MFCD11213712
Product Description
Catalog Number:
AG00026B
Chemical Name:
1-Propanone, 2-hydroxy-1-(1-piperazinyl)-
CAS Number:
100500-89-8
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
MDL Number:
MFCD11213712
IUPAC Name:
2-hydroxy-1-piperazin-1-ylpropan-1-one
InChI:
InChI=1S/C7H14N2O2/c1-6(10)7(11)9-4-2-8-3-5-9/h6,8,10H,2-5H2,1H3
InChI Key:
JQRBBKFUEZDIRG-UHFFFAOYSA-N
SMILES:
CC(C(=O)N1CCNCC1)O
Properties
Complexity:
143
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:
-1.2
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