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148227-96-7 | Butanoic acid, 2-piperazinylmethyl ester
CAS No: 148227-96-7 Catalog No: AG001FJU MDL No:
Product Description
Catalog Number:
AG001FJU
Chemical Name:
Butanoic acid, 2-piperazinylmethyl ester
CAS Number:
148227-96-7
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
IUPAC Name:
piperazin-2-ylmethyl butanoate
InChI:
InChI=1S/C9H18N2O2/c1-2-3-9(12)13-7-8-6-10-4-5-11-8/h8,10-11H,2-7H2,1H3
InChI Key:
UPWWZEWRXBUNDE-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCC1CNCCN1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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