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Home > Indoles and Oxindole > 13208-98-5
13208-98-5 | 1H-Indole-2,3-dione, 5-methyl-, 3-oxime
CAS No: 13208-98-5 Catalog No: AG001068 MDL No:
Product Description
Catalog Number:
AG001068
Chemical Name:
1H-Indole-2,3-dione, 5-methyl-, 3-oxime
CAS Number:
13208-98-5
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
5-methyl-3-nitroso-1H-indol-2-ol
InChI:
InChI=1S/C9H8N2O2/c1-5-2-3-7-6(4-5)8(11-13)9(12)10-7/h2-4,10,12H,1H3
InChI Key:
KVSDYOWXCHPWQI-UHFFFAOYSA-N
SMILES:
Cc1cc2C(=NO)C(=O)Nc2cc1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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