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Home > Indoles and Oxindole > 116569-08-5
116569-08-5 | 1H-Indole-2,3-dione, 6-hydroxy-
CAS No: 116569-08-5 Catalog No: AG000CRW MDL No:MFCD08689914
Product Description
Catalog Number:
AG000CRW
Chemical Name:
1H-Indole-2,3-dione, 6-hydroxy-
CAS Number:
116569-08-5
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD08689914
IUPAC Name:
6-hydroxy-1H-indole-2,3-dione
InChI:
InChI=1S/C8H5NO3/c10-4-1-2-5-6(3-4)9-8(12)7(5)11/h1-3,10H,(H,9,11,12)
InChI Key:
OPHRQXIPRXFPJF-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)NC(=O)C2=O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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