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Home > Indoles and Oxindole > 95299-84-6
95299-84-6 | 1H-Isoindole-1,3(2H)-dione, 2-[(5-methyl-1H-pyrrol-2-yl)methyl]-
CAS No: 95299-84-6 Catalog No: AG0065O6 MDL No:
Product Description
Catalog Number:
AG0065O6
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(5-methyl-1H-pyrrol-2-yl)methyl]-
CAS Number:
95299-84-6
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
IUPAC Name:
2-[(5-methyl-1H-pyrrol-2-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H12N2O2/c1-9-6-7-10(15-9)8-16-13(17)11-4-2-3-5-12(11)14(16)18/h2-7,15H,8H2,1H3
InChI Key:
KKJPDEYBMRIJBH-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccc([nH]2)C)C(=O)c2c1cccc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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