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Home > Indoles and Oxindole > 77611-68-8
77611-68-8 | 1H-Isoindole-1,3(2H)-dione, 2-(3-nitropropyl)-
CAS No: 77611-68-8 Catalog No: AG0058T6 MDL No:
Product Description
Catalog Number:
AG0058T6
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-nitropropyl)-
CAS Number:
77611-68-8
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
IUPAC Name:
2-(3-nitropropyl)isoindole-1,3-dione
InChI:
InChI=1S/C11H10N2O4/c14-10-8-4-1-2-5-9(8)11(15)12(10)6-3-7-13(16)17/h1-2,4-5H,3,6-7H2
InChI Key:
CRXXTBGPVDVHPD-UHFFFAOYSA-N
SMILES:
O=C1N(CCC[N+](=O)[O-])C(=O)c2c1cccc2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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