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198992-49-3

198992-49-3 | 2-Piperazinecarboxylic acid, methyl ester, (2S)-

CAS No: 198992-49-3 Catalog No: AG002BUJ MDL No:MFCD07772087

Product Description

Catalog Number:
AG002BUJ
Chemical Name:
2-Piperazinecarboxylic acid, methyl ester, (2S)-
CAS Number:
198992-49-3
Molecular Formula:
C6H12N2O2
Molecular Weight:
144.1717
MDL Number:
MFCD07772087
IUPAC Name:
methyl (2S)-piperazine-2-carboxylate
InChI:
InChI=1S/C6H12N2O2/c1-10-6(9)5-4-7-2-3-8-5/h5,7-8H,2-4H2,1H3/t5-/m0/s1
InChI Key:
ODQZNBWVRPKMKN-YFKPBYRVSA-N
SMILES:
COC(=O)[C@@H]1CNCCN1

Properties

Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
144.09g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
144.174g/mol
Monoisotopic Mass:
144.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

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