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128043-99-2 | 1-Imidazolidineacetic acid, 3-[(3-nitrophenyl)methyl]-2,4,5-trioxo-
CAS No: 128043-99-2 Catalog No: AG000XPL MDL No:
Product Description
Catalog Number:
AG000XPL
Chemical Name:
1-Imidazolidineacetic acid, 3-[(3-nitrophenyl)methyl]-2,4,5-trioxo-
CAS Number:
128043-99-2
Molecular Formula:
C12H9N3O7
Molecular Weight:
307.2158
IUPAC Name:
2-[3-[(3-nitrophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
InChI:
InChI=1S/C12H9N3O7/c16-9(17)6-14-11(19)10(18)13(12(14)20)5-7-2-1-3-8(4-7)15(21)22/h1-4H,5-6H2,(H,16,17)
InChI Key:
YREIRIKJAMPPHC-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)C(=O)N(C1=O)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.218g/mol
Monoisotopic Mass:
307.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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