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Home > Indoles and Oxindole > 1250944-54-7
1250944-54-7 | 3-HYDROXY-7-METHOXY-2,3-DIHYDRO-1H-INDOL-2-ONE
CAS No: 1250944-54-7 Catalog No: AG01BUDR MDL No:MFCD14641098
Product Description
Catalog Number:
AG01BUDR
Chemical Name:
3-HYDROXY-7-METHOXY-2,3-DIHYDRO-1H-INDOL-2-ONE
CAS Number:
1250944-54-7
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD14641098
IUPAC Name:
3-hydroxy-7-methoxy-1,3-dihydroindol-2-one
InChI:
InChI=1S/C9H9NO3/c1-13-6-4-2-3-5-7(6)10-9(12)8(5)11/h2-4,8,11H,1H3,(H,10,12)
InChI Key:
HQCFWZAHTPHDTN-UHFFFAOYSA-N
SMILES:
COc1cccc2c1NC(=O)C2O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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