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705941-45-3 | 1-Piperazineaceticacid, 4-acetyl-
CAS No: 705941-45-3 Catalog No: AG005HQW MDL No:MFCD04116694
Product Description
Catalog Number:
AG005HQW
Chemical Name:
1-Piperazineaceticacid, 4-acetyl-
CAS Number:
705941-45-3
Molecular Formula:
C8H14N2O3
Molecular Weight:
186.2084
MDL Number:
MFCD04116694
IUPAC Name:
2-(4-acetylpiperazin-1-yl)acetic acid
InChI:
InChI=1S/C8H14N2O3/c1-7(11)10-4-2-9(3-5-10)6-8(12)13/h2-6H2,1H3,(H,12,13)
InChI Key:
LOJWUWGLJZYAOE-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCN(CC1)C(=O)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.211g/mol
Monoisotopic Mass:
186.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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