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

benzyl 3,4-dioxopiperidine-1-carboxylate

CAS No.:
2059947-74-7
Catalog Number:
AG01BR02
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
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Product Description
Catalog Number:
AG01BR02
Chemical Name:
benzyl 3,4-dioxopiperidine-1-carboxylate
CAS Number:
2059947-74-7
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD30502159
IUPAC Name:
benzyl 3,4-dioxopiperidine-1-carboxylate
InChI:
InChI=1S/C13H13NO4/c15-11-6-7-14(8-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
KURHNLXSYOTDJF-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=O)C(=O)C1)OCc1ccccc1
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties