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1621961-57-6 | 2-Piperazinecarboxylic acid, 5-oxo-, hydrochloride (1:1), (2S)-
CAS No: 1621961-57-6 Catalog No: AG001SUT MDL No:MFCD28044202
Product Description
Catalog Number:
AG001SUT
Chemical Name:
2-Piperazinecarboxylic acid, 5-oxo-, hydrochloride (1:1), (2S)-
CAS Number:
1621961-57-6
Molecular Formula:
C5H9ClN2O3
Molecular Weight:
180.5896
MDL Number:
MFCD28044202
IUPAC Name:
(2S)-5-oxopiperazine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C5H8N2O3.ClH/c8-4-2-6-3(1-7-4)5(9)10;/h3,6H,1-2H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1
InChI Key:
XDOSJCFGYLXAHC-DFWYDOINSA-N
SMILES:
O=C1CN[C@@H](CN1)C(=O)O.Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
180.588g/mol
Monoisotopic Mass:
180.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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