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10133-88-7 | 2H-Isoindole-2-acetic acid, 1,3-dihydro-5-nitro-1,3-dioxo-
CAS No: 10133-88-7 Catalog No: AG00049L MDL No:MFCD00435974
Product Description
Catalog Number:
AG00049L
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
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
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