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88767-04-8

88767-04-8 | Glycine, N-[2,5-dihydro-1-(1-methylethyl)-4-nitro-2-oxo-1H-pyrrol-3-yl]-

CAS No: 88767-04-8 Catalog No: AG004CZY MDL No:

Product Description

Catalog Number:
AG004CZY
Chemical Name:
Glycine, N-[2,5-dihydro-1-(1-methylethyl)-4-nitro-2-oxo-1H-pyrrol-3-yl]-
CAS Number:
88767-04-8
Molecular Formula:
C9H13N3O5
Molecular Weight:
243.2166
IUPAC Name:
2-[(3-nitro-5-oxo-1-propan-2-yl-2H-pyrrol-4-yl)amino]acetic acid
InChI:
InChI=1S/C9H13N3O5/c1-5(2)11-4-6(12(16)17)8(9(11)15)10-3-7(13)14/h5,10H,3-4H2,1-2H3,(H,13,14)
InChI Key:
ABWXLHMJTSBXJI-UHFFFAOYSA-N
SMILES:
OC(=O)CNC1=C(CN(C1=O)C(C)C)[N+](=O)[O-]

Properties

Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.086g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.219g/mol
Monoisotopic Mass:
243.086g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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