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Home > Indoles and Oxindole > 1249587-64-1
1249587-64-1 | 3-HYDROXY-7-(PROPAN-2-YL)-2,3-DIHYDRO-1H-INDOL-2-ONE
CAS No: 1249587-64-1 Catalog No: AG01BUDU MDL No:MFCD14641050
Product Description
Catalog Number:
AG01BUDU
Chemical Name:
3-HYDROXY-7-(PROPAN-2-YL)-2,3-DIHYDRO-1H-INDOL-2-ONE
CAS Number:
1249587-64-1
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD14641050
IUPAC Name:
3-hydroxy-7-propan-2-yl-1,3-dihydroindol-2-one
InChI:
InChI=1S/C11H13NO2/c1-6(2)7-4-3-5-8-9(7)12-11(14)10(8)13/h3-6,10,13H,1-2H3,(H,12,14)
InChI Key:
ZRGDPLGKNURJQK-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c1NC(=O)C2O)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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