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Home Aminos 1H-Isoindole-1,3(2H)-dione, 4-amino-2-methyl-

1H-Isoindole-1,3(2H)-dione, 4-amino-2-methyl-

CAS No.:
2257-85-4
Catalog Number:
AG00C12G
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG00C12G
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4-amino-2-methyl-
CAS Number:
2257-85-4
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD00012081
IUPAC Name:
4-amino-2-methylisoindole-1,3-dione
InChI:
InChI=1S/C9H8N2O2/c1-11-8(12)5-3-2-4-6(10)7(5)9(11)13/h2-4H,10H2,1H3
InChI Key:
MQJSMQLGNZNTFD-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1C(=O)N(C2=O)C
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Solvatochromic and thermochromic shifts of electronic spectra of polar solute molecules in a mixture of polar and nonpolar solvent; the role of solvent-solvent interactions. The Journal of chemical physics 20040115
Properties