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126685-93-6 | 1,3-Butanedione, 2-diazo-1-(2-oxo-1-pyrrolidinyl)-
CAS No: 126685-93-6 Catalog No: AG000T3U MDL No:
Product Description
Catalog Number:
AG000T3U
Chemical Name:
1,3-Butanedione, 2-diazo-1-(2-oxo-1-pyrrolidinyl)-
CAS Number:
126685-93-6
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
IUPAC Name:
2-diazo-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione
InChI:
InChI=1S/C8H9N3O3/c1-5(12)7(10-9)8(14)11-4-2-3-6(11)13/h2-4H2,1H3
InChI Key:
WBOUINZGMYOWOD-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(C(=O)N1CCCC1=O)C(=O)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
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