Home Carboxys methyl 3,4-dioxopiperidine-1-carboxylate

methyl 3,4-dioxopiperidine-1-carboxylate

CAS No.:
2060029-54-9
Catalog Number:
AG01C039
Molecular Formula:
C7H9NO4
Molecular Weight:
171.1507
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Product Description
Catalog Number:
AG01C039
Chemical Name:
methyl 3,4-dioxopiperidine-1-carboxylate
CAS Number:
2060029-54-9
Molecular Formula:
C7H9NO4
Molecular Weight:
171.1507
MDL Number:
MFCD30497800
IUPAC Name:
methyl 3,4-dioxopiperidine-1-carboxylate
InChI:
InChI=1S/C7H9NO4/c1-12-7(11)8-3-2-5(9)6(10)4-8/h2-4H2,1H3
InChI Key:
LFEVJQXTLYLBAQ-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCC(=O)C(=O)C1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.152g/mol
Monoisotopic Mass:
171.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties