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Home > Indoles and Oxindole > 451460-32-5
451460-32-5 | 2-(4-Hydroxy-butyl)-4-nitro-isoindole-1,3-dione
CAS No: 451460-32-5 Catalog No: AG01EW1M MDL No:
Product Description
Catalog Number:
AG01EW1M
Chemical Name:
2-(4-Hydroxy-butyl)-4-nitro-isoindole-1,3-dione
CAS Number:
451460-32-5
Molecular Formula:
C12H12N2O5
Molecular Weight:
264.2341
IUPAC Name:
2-(4-hydroxybutyl)-4-nitroisoindole-1,3-dione
InChI:
InChI=1S/C12H12N2O5/c15-7-2-1-6-13-11(16)8-4-3-5-9(14(18)19)10(8)12(13)17/h3-5,15H,1-2,6-7H2
InChI Key:
LVIFXEBGKQHMOJ-UHFFFAOYSA-N
SMILES:
OCCCCN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.237g/mol
Monoisotopic Mass:
264.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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