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147666-20-4 | Acetic acid, 2-diazo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 147666-20-4 Catalog No: AG001F2Q MDL No:
Product Description
Catalog Number:
AG001F2Q
Chemical Name:
Acetic acid, 2-diazo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
147666-20-4
Molecular Formula:
C6H5N3O4
Molecular Weight:
183.1216
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 2-diazoacetate
InChI:
InChI=1S/C6H5N3O4/c7-8-3-6(12)13-9-4(10)1-2-5(9)11/h3H,1-2H2
InChI Key:
QTZFYMCHQMNSNL-UHFFFAOYSA-N
SMILES:
O=C(C=[N+]=[N-])ON1C(=O)CCC1=O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.123g/mol
Monoisotopic Mass:
183.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.5
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