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100500-97-8 | 2-Propanone, 1-[4-(3-hydroxypropyl)-1-piperazinyl]-
CAS No: 100500-97-8 Catalog No: AG000269 MDL No:
Product Description
Catalog Number:
AG000269
Chemical Name:
2-Propanone, 1-[4-(3-hydroxypropyl)-1-piperazinyl]-
CAS Number:
100500-97-8
Molecular Formula:
C10H20N2O2
Molecular Weight:
200.2780
IUPAC Name:
1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-2-one
InChI:
InChI=1S/C10H20N2O2/c1-10(14)9-12-6-4-11(5-7-12)3-2-8-13/h13H,2-9H2,1H3
InChI Key:
SHVSDYLCCKLVGW-UHFFFAOYSA-N
SMILES:
OCCCN1CCN(CC1)CC(=O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.282g/mol
Monoisotopic Mass:
200.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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