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15728-05-9 | 2H-Isoindole-2-propanoic acid, 1,3-dihydro-4-nitro-1,3-dioxo-
CAS No: 15728-05-9 Catalog No: AG001PCH MDL No:MFCD00523384
Product Description
Catalog Number:
AG001PCH
Chemical Name:
2H-Isoindole-2-propanoic acid, 1,3-dihydro-4-nitro-1,3-dioxo-
CAS Number:
15728-05-9
Molecular Formula:
C11H8N2O6
Molecular Weight:
264.1910
MDL Number:
MFCD00523384
IUPAC Name:
3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoic acid
InChI:
InChI=1S/C11H8N2O6/c14-8(15)4-5-12-10(16)6-2-1-3-7(13(18)19)9(6)11(12)17/h1-3H,4-5H2,(H,14,15)
InChI Key:
PGIXCCWHKPRJEG-UHFFFAOYSA-N
SMILES:
OC(=O)CCN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.193g/mol
Monoisotopic Mass:
264.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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