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10133-88-7,MFCD00435974
Catalog No.:AA00046T
10133-88-7 | 2H-Isoindole-2-acetic acid, 1,3-dihydro-5-nitro-1,3-dioxo-
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1g
95%
in stock  
$26.00
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5g
95%
in stock  
$75.00
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Technical Information
Catalog Number:
AA00046T
Chemical Name:
2H-Isoindole-2-acetic acid, 1,3-dihydro-5-nitro-1,3-dioxo-
CAS Number:
10133-88-7
Molecular Formula:
C10H6N2O6
Molecular Weight:
250.1644
MDL Number:
MFCD00435974
IUPAC Name:
2-(5-nitro-1,3-dioxoisoindol-2-yl)acetic acid
InChI:
InChI=1S/C10H6N2O6/c13-8(14)4-11-9(15)6-2-1-5(12(17)18)3-7(6)10(11)16/h1-3H,4H2,(H,13,14)
InChI Key:
IYUGAIHDSMCVCC-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)c2c(C1=O)ccc(c2)[N+](=O)[O-]
NSC Number:
117421
Properties
Computed Properties
 
Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.023g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.166g/mol
Monoisotopic Mass:
250.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
10133-88-7 
(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid 
Oprea1_316190 
SCHEMBL4234480 
SCHEMBL19334499 
CTK0H6663 
IYUGAIHDSMCVCC-UHFFFAOYSA-N 
2-(4-Nitrophthalimido)acetic acid 
ZINC1508346 
MFCD00435974 
STK391575 
AKOS000247197 
2-(5-Nitro-1,3-dioxoisoindolin-2-yl)acetic acid 
MCULE-2376099088 
NSC-117421 
4-nitro-N-(1-carboxymethyl)phthalimide 
AJ-26447 
1,3-Dioxo-5-nitroisoindoline-2-acetic acid 
EN300-10109 
W-6841 
2-(5-nitro-1,3-dioxoisoindol-2-yl)acetic acid 
SR-01000086292 
SR-01000086292-1 
2h-isoindole-2-acetic acid, 1,3-dihydro-5-nitro-1,3-dioxo- 
Z56989678 
2-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid 
AR-1E2104 
CID272737 
10146-89-1 
2H-Isoindole-2-aceticacid, 1,3-dihydro-5-nitro-1,3-dioxo- 
(4-nitrophthalimido)acetic acid 
NSC117421 
AC1Q1ZPL 
AC1L6S7N 
AC1Q75SD 
Literature
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