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Home > Indoles and Oxindole > 849697-55-8
849697-55-8 | 1H-Indole-2,4-dione, 3,5-dihydro-
CAS No: 849697-55-8 Catalog No: AG004QKL MDL No:
Product Description
Catalog Number:
AG004QKL
Chemical Name:
1H-Indole-2,4-dione, 3,5-dihydro-
CAS Number:
849697-55-8
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
3,5-dihydro-1H-indole-2,4-dione
InChI:
InChI=1S/C8H7NO2/c10-7-3-1-2-6-5(7)4-8(11)9-6/h1-2H,3-4H2,(H,9,11)
InChI Key:
PBZQUZUOUNUOAI-UHFFFAOYSA-N
SMILES:
O=C1CC2=C(N1)C=CCC2=O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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