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Home > Indoles and Oxindole > 648424-84-4
648424-84-4 | 2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1,3-dimethyl-, (3S)-
CAS No: 648424-84-4 Catalog No: AG006T8L MDL No:
Product Description
Catalog Number:
AG006T8L
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1,3-dimethyl-, (3S)-
CAS Number:
648424-84-4
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
(3S)-3-hydroxy-1,3-dimethylindol-2-one
InChI:
InChI=1S/C10H11NO2/c1-10(13)7-5-3-4-6-8(7)11(2)9(10)12/h3-6,13H,1-2H3/t10-/m0/s1
InChI Key:
KKYJEHMJKVIBOB-JTQLQIEISA-N
SMILES:
CN1c2ccccc2[C@](C1=O)(C)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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