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Home > Indoles and Oxindole > 22582-62-3
22582-62-3 | 1H-Indole, 1-(1,3-dioxobutyl)-
CAS No: 22582-62-3 Catalog No: AG007O7U MDL No:
Product Description
Catalog Number:
AG007O7U
Chemical Name:
1H-Indole, 1-(1,3-dioxobutyl)-
CAS Number:
22582-62-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
1-indol-1-ylbutane-1,3-dione
InChI:
InChI=1S/C12H11NO2/c1-9(14)8-12(15)13-7-6-10-4-2-3-5-11(10)13/h2-7H,8H2,1H3
InChI Key:
YYBRVTXZUHUFDR-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)n1ccc2c1cccc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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