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Home > Indoles and Oxindole > 79443-71-3
79443-71-3 | 1H-Isoindole-1,3(2H)-dione, 2-[(2-oxocyclohexyl)methyl]-
CAS No: 79443-71-3 Catalog No: AG005K38 MDL No:
Product Description
Catalog Number:
AG005K38
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(2-oxocyclohexyl)methyl]-
CAS Number:
79443-71-3
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
2-[(2-oxocyclohexyl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H15NO3/c17-13-8-4-1-5-10(13)9-16-14(18)11-6-2-3-7-12(11)15(16)19/h2-3,6-7,10H,1,4-5,8-9H2
InChI Key:
MQTBQGWJKLGZSG-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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