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7699-20-9 | 7-Methoxyindolin-2-one
CAS No: 7699-20-9 Catalog No: AG005RMS MDL No:MFCD02179611
Product Description
Catalog Number:
AG005RMS
Chemical Name:
7-Methoxyindolin-2-one
CAS Number:
7699-20-9
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD02179611
IUPAC Name:
7-methoxy-1,3-dihydroindol-2-one
InChI:
InChI=1S/C9H9NO2/c1-12-7-4-2-3-6-5-8(11)10-9(6)7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
APQCUXBFROFCOM-UHFFFAOYSA-N
SMILES:
COc1cccc2c1NC(=O)C2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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