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156440-97-0

156440-97-0 | 1-Piperazinecarboxylic acid, 3-oxo-, 2-propen-1-yl ester

CAS No: 156440-97-0 Catalog No: AG001OQM MDL No:

Product Description

Catalog Number:
AG001OQM
Chemical Name:
1-Piperazinecarboxylic acid, 3-oxo-, 2-propen-1-yl ester
CAS Number:
156440-97-0
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
IUPAC Name:
prop-2-enyl 3-oxopiperazine-1-carboxylate
InChI:
InChI=1S/C8H12N2O3/c1-2-5-13-8(12)10-4-3-9-7(11)6-10/h2H,1,3-6H2,(H,9,11)
InChI Key:
LYQQSNCMRCZZIS-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)N1CCNC(=O)C1

Properties

Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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