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100487-79-4

100487-79-4 | 1H-Indole-2,3-dione, 4,5-dimethyl-

CAS No: 100487-79-4 Catalog No: AG00023C MDL No:

Product Description

Catalog Number:
AG00023C
Chemical Name:
1H-Indole-2,3-dione, 4,5-dimethyl-
CAS Number:
100487-79-4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
4,5-dimethyl-1H-indole-2,3-dione
InChI:
InChI=1S/C10H9NO2/c1-5-3-4-7-8(6(5)2)9(12)10(13)11-7/h3-4H,1-2H3,(H,11,12,13)
InChI Key:
UZQSNRWCIFIUSJ-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)c(C)c(cc2)C
NSC Number:
104997

Properties

Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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