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126330-91-4 | 2-Piperazinecarboxylic acid, 6-oxo-, methyl ester, (2R)-
CAS No: 126330-91-4 Catalog No: AG000SNF MDL No:
Product Description
Catalog Number:
AG000SNF
Chemical Name:
2-Piperazinecarboxylic acid, 6-oxo-, methyl ester, (2R)-
CAS Number:
126330-91-4
Molecular Formula:
C6H10N2O3
Molecular Weight:
158.1552
IUPAC Name:
methyl (2R)-6-oxopiperazine-2-carboxylate
InChI:
InChI=1S/C6H10N2O3/c1-11-6(10)4-2-7-3-5(9)8-4/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m1/s1
InChI Key:
YPHRCQHMSQLRIC-SCSAIBSYSA-N
SMILES:
COC(=O)[C@H]1CNCC(=O)N1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
158.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.157g/mol
Monoisotopic Mass:
158.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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