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1022919-08-9 | 2-Piperazineacetic acid, 1-[(5-methyl-2-furanyl)methyl]-3-oxo-
CAS No: 1022919-08-9 Catalog No: AG000740 MDL No:MFCD05666758
Product Description
Catalog Number:
AG000740
Chemical Name:
2-Piperazineacetic acid, 1-[(5-methyl-2-furanyl)methyl]-3-oxo-
CAS Number:
1022919-08-9
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD05666758
IUPAC Name:
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
InChI:
InChI=1S/C12H16N2O4/c1-8-2-3-9(18-8)7-14-5-4-13-12(17)10(14)6-11(15)16/h2-3,10H,4-7H2,1H3,(H,13,17)(H,15,16)
InChI Key:
WZNUTYXPWKUFMM-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)CN1CCNC(=O)C1CC(=O)O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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