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1217608-77-9 | 2-Piperazinone, 6-(hydroxymethyl)-1-(4-hydroxyphenyl)-, (6R)-
CAS No: 1217608-77-9 Catalog No: AG0015UN MDL No:
Product Description
Catalog Number:
AG0015UN
Chemical Name:
2-Piperazinone, 6-(hydroxymethyl)-1-(4-hydroxyphenyl)-, (6R)-
CAS Number:
1217608-77-9
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
(6R)-6-(hydroxymethyl)-1-(4-hydroxyphenyl)piperazin-2-one
InChI:
InChI=1S/C11H14N2O3/c14-7-9-5-12-6-11(16)13(9)8-1-3-10(15)4-2-8/h1-4,9,12,14-15H,5-7H2/t9-/m1/s1
InChI Key:
GOSGXMVAGBXUID-SECBINFHSA-N
SMILES:
OC[C@H]1CNCC(=O)N1c1ccc(cc1)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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