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75059-03-9 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(2-nitrophenyl)-2-propenyl]-
CAS No: 75059-03-9 Catalog No: AG0057AH MDL No:
Product Description
Catalog Number:
AG0057AH
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(2-nitrophenyl)-2-propenyl]-
CAS Number:
75059-03-9
Molecular Formula:
C17H12N2O4
Molecular Weight:
308.2882
IUPAC Name:
2-[3-(2-nitrophenyl)prop-2-enyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H12N2O4/c20-16-13-8-2-3-9-14(13)17(21)18(16)11-5-7-12-6-1-4-10-15(12)19(22)23/h1-10H,11H2
InChI Key:
JGLDMQGSJVSJOV-UHFFFAOYSA-N
SMILES:
O=C1N(CC=Cc2ccccc2[N+](=O)[O-])C(=O)c2c1cccc2
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.293g/mol
Monoisotopic Mass:
308.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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