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101269-52-7 | 2,3-Piperazinedicarboxylic acid, 2,3-diethyl ester
CAS No: 101269-52-7 Catalog No: AG00043O MDL No:
Product Description
Catalog Number:
AG00043O
Chemical Name:
2,3-Piperazinedicarboxylic acid, 2,3-diethyl ester
CAS Number:
101269-52-7
Molecular Formula:
C10H18N2O4
Molecular Weight:
230.2609
IUPAC Name:
diethyl piperazine-2,3-dicarboxylate
InChI:
InChI=1S/C10H18N2O4/c1-3-15-9(13)7-8(10(14)16-4-2)12-6-5-11-7/h7-8,11-12H,3-6H2,1-2H3
InChI Key:
JJNSKDRGNWNBSR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1NCCNC1C(=O)OCC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.264g/mol
Monoisotopic Mass:
230.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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