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Home > Indoles and Oxindole > 79552-55-9
79552-55-9 | 1H-Indole-2,3-dione, 7-methyl-1-(2-oxopropyl)-
CAS No: 79552-55-9 Catalog No: AG005JBW MDL No:
Product Description
Catalog Number:
AG005JBW
Chemical Name:
1H-Indole-2,3-dione, 7-methyl-1-(2-oxopropyl)-
CAS Number:
79552-55-9
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
7-methyl-1-(2-oxopropyl)indole-2,3-dione
InChI:
InChI=1S/C12H11NO3/c1-7-4-3-5-9-10(7)13(6-8(2)14)12(16)11(9)15/h3-5H,6H2,1-2H3
InChI Key:
JEXHUEKQHJAUHF-UHFFFAOYSA-N
SMILES:
CC(=O)CN1C(=O)C(=O)c2c1c(C)ccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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