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Home > Indoles and Oxindole > 1245647-80-6
1245647-80-6 | 2H-Indol-2-one, 3-(2,3-dihydro-7-hydroxy-1,4-benzodioxin-6-yl)-1,3-dihydro-
CAS No: 1245647-80-6 Catalog No: AG000MBT MDL No:MFCD16659827
Product Description
Catalog Number:
AG000MBT
Chemical Name:
2H-Indol-2-one, 3-(2,3-dihydro-7-hydroxy-1,4-benzodioxin-6-yl)-1,3-dihydro-
CAS Number:
1245647-80-6
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
MDL Number:
MFCD16659827
IUPAC Name:
3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-dihydroindol-2-one
InChI:
InChI=1S/C16H13NO4/c18-12-8-14-13(20-5-6-21-14)7-10(12)15-9-3-1-2-4-11(9)17-16(15)19/h1-4,7-8,15,18H,5-6H2,(H,17,19)
InChI Key:
OYKAKASLTRZSEN-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1c1cc3OCCOc3cc1O)cccc2
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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