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84619-47-6 | 2,3-Piperazinedicarboxylicacid, (2R,3S)-rel-
CAS No: 84619-47-6 Catalog No: AG004Q30 MDL No:
Product Description
Catalog Number:
AG004Q30
Chemical Name:
2,3-Piperazinedicarboxylicacid, (2R,3S)-rel-
CAS Number:
84619-47-6
Molecular Formula:
C6H10N2O4
Molecular Weight:
174.1546
IUPAC Name:
(2R,3S)-piperazine-2,3-dicarboxylic acid
InChI:
InChI=1S/C6H10N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3-,4+
InChI Key:
ZLSOKZQPVJYNKB-ZXZARUISSA-N
SMILES:
OC(=O)[C@@H]1NCCN[C@@H]1C(=O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
174.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
174.156g/mol
Monoisotopic Mass:
174.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.2
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