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89317-43-1 | 1H-Pyrrolizine-3,5(2H,6H)-dione, 7a-(4-diazo-3-oxobutyl)dihydro-
CAS No: 89317-43-1 Catalog No: AG00404W MDL No:
Product Description
Catalog Number:
AG00404W
Chemical Name:
1H-Pyrrolizine-3,5(2H,6H)-dione, 7a-(4-diazo-3-oxobutyl)dihydro-
CAS Number:
89317-43-1
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
IUPAC Name:
8-(4-diazo-3-oxobutyl)-1,2,6,7-tetrahydropyrrolizine-3,5-dione
InChI:
InChI=1S/C11H13N3O3/c12-13-7-8(15)1-4-11-5-2-9(16)14(11)10(17)3-6-11/h7H,1-6H2
InChI Key:
XHEHXDALQQFEMS-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)CCC12CCC(=O)N2C(=O)CC1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
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