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1024618-84-5 | 2-Piperazineacetic acid, 1-(1-methylethyl)-3-oxo-
CAS No: 1024618-84-5 Catalog No: AG0007J5 MDL No:MFCD05870470
Product Description
Catalog Number:
AG0007J5
Chemical Name:
2-Piperazineacetic acid, 1-(1-methylethyl)-3-oxo-
CAS Number:
1024618-84-5
Molecular Formula:
C9H16N2O3
Molecular Weight:
200.2349
MDL Number:
MFCD05870470
IUPAC Name:
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetic acid
InChI:
InChI=1S/C9H16N2O3/c1-6(2)11-4-3-10-9(14)7(11)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChI Key:
NJZMHNHROHOKDK-UHFFFAOYSA-N
SMILES:
CC(N1CCNC(=O)C1CC(=O)O)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.238g/mol
Monoisotopic Mass:
200.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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