Home Carboxys methyl 3-(piperazin-1-yl)oxetane-3-carboxylate

methyl 3-(piperazin-1-yl)oxetane-3-carboxylate

CAS No.:
1500541-27-4
Catalog Number:
AG01EBDC
Molecular Formula:
C9H16N2O3
Molecular Weight:
200.2349
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Product Description
Catalog Number:
AG01EBDC
Chemical Name:
methyl 3-(piperazin-1-yl)oxetane-3-carboxylate
CAS Number:
1500541-27-4
Molecular Formula:
C9H16N2O3
Molecular Weight:
200.2349
MDL Number:
MFCD23918143
IUPAC Name:
methyl 3-piperazin-1-yloxetane-3-carboxylate
InChI:
InChI=1S/C9H16N2O3/c1-13-8(12)9(6-14-7-9)11-4-2-10-3-5-11/h10H,2-7H2,1H3
InChI Key:
JAYJGEQVGGXCAY-UHFFFAOYSA-N
SMILES:
COC(=O)C1(COC1)N1CCNCC1
Properties
Complexity:
222  
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:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.238g/mol
Monoisotopic Mass:
200.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties