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Home > Indoles and Oxindole > 108937-87-7
108937-87-7 | 4-Methoxyindoline-2,3-dione
CAS No: 108937-87-7 Catalog No: AG0082XZ MDL No:MFCD10000746
Product Description
Catalog Number:
AG0082XZ
Chemical Name:
4-Methoxyindoline-2,3-dione
CAS Number:
108937-87-7
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD10000746
IUPAC Name:
4-methoxy-1H-indole-2,3-dione
InChI:
InChI=1S/C9H7NO3/c1-13-6-4-2-3-5-7(6)8(11)9(12)10-5/h2-4H,1H3,(H,10,11,12)
InChI Key:
LTERBHLYBWXCPT-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)C(=O)N2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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