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198973-87-4 | 2-Piperazinone, 3-(phenylmethyl)-, (3R)-
CAS No: 198973-87-4 Catalog No: AG002BTY MDL No:
Product Description
Catalog Number:
AG002BTY
Chemical Name:
2-Piperazinone, 3-(phenylmethyl)-, (3R)-
CAS Number:
198973-87-4
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
IUPAC Name:
(3R)-3-benzylpiperazin-2-one
InChI:
InChI=1S/C11H14N2O/c14-11-10(12-6-7-13-11)8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)/t10-/m1/s1
InChI Key:
XEJMAPBQIWVIRL-SNVBAGLBSA-N
SMILES:
O=C1NCCN[C@@H]1Cc1ccccc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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