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Home > Indoles and Oxindole > 861389-68-6
861389-68-6 | 5-(2-Furyl)-1H-indole-2,3-dione
CAS No: 861389-68-6 Catalog No: AG01EXVM MDL No:
Product Description
Catalog Number:
AG01EXVM
Chemical Name:
5-(2-Furyl)-1H-indole-2,3-dione
CAS Number:
861389-68-6
Molecular Formula:
C12H7NO3
Molecular Weight:
213.1889
IUPAC Name:
5-(furan-2-yl)-1H-indole-2,3-dione
InChI:
InChI=1S/C12H7NO3/c14-11-8-6-7(10-2-1-5-16-10)3-4-9(8)13-12(11)15/h1-6H,(H,13,14,15)
InChI Key:
SPCDDCLVEXILMN-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2)c1ccco1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.192g/mol
Monoisotopic Mass:
213.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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