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Home > Indoles and Oxindole > 18331-71-0
18331-71-0 | 1H-Indole-2,3-dione, 5-butyl-
CAS No: 18331-71-0 Catalog No: AG0027IC MDL No:
Product Description
Catalog Number:
AG0027IC
Chemical Name:
1H-Indole-2,3-dione, 5-butyl-
CAS Number:
18331-71-0
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
5-butyl-1H-indole-2,3-dione
InChI:
InChI=1S/C12H13NO2/c1-2-3-4-8-5-6-10-9(7-8)11(14)12(15)13-10/h5-7H,2-4H2,1H3,(H,13,14,15)
InChI Key:
WIEJKTTWCGNQHH-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)C(=O)C(=O)N2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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