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Home > Indoles and Oxindole > 1249405-53-5
1249405-53-5 | 3-HYDROXY-4,6-DIMETHYL-2,3-DIHYDRO-1H-INDOL-2-ONE
CAS No: 1249405-53-5 Catalog No: AG01BUDA MDL No:MFCD14641041
Product Description
Catalog Number:
AG01BUDA
Chemical Name:
3-HYDROXY-4,6-DIMETHYL-2,3-DIHYDRO-1H-INDOL-2-ONE
CAS Number:
1249405-53-5
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD14641041
IUPAC Name:
3-hydroxy-4,6-dimethyl-1,3-dihydroindol-2-one
InChI:
InChI=1S/C10H11NO2/c1-5-3-6(2)8-7(4-5)11-10(13)9(8)12/h3-4,9,12H,1-2H3,(H,11,13)
InChI Key:
KMDLIUISQZWPFI-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1O)c(C)cc(c2)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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