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Home > Indoles and Oxindole > 67491-46-7
67491-46-7 | 1H-Indole-5,6-dione, 2,3-dihydro-3-hydroxy-1-(1-methylethyl)-, (R)-
CAS No: 67491-46-7 Catalog No: AG00613R MDL No:
Product Description
Catalog Number:
AG00613R
Chemical Name:
1H-Indole-5,6-dione, 2,3-dihydro-3-hydroxy-1-(1-methylethyl)-, (R)-
CAS Number:
67491-46-7
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
(3R)-3-hydroxy-1-propan-2-yl-2,3-dihydroindole-5,6-dione
InChI:
InChI=1S/C11H13NO3/c1-6(2)12-5-11(15)7-3-9(13)10(14)4-8(7)12/h3-4,6,11,15H,5H2,1-2H3/t11-/m0/s1
InChI Key:
REDYFOKPSXHPLC-NSHDSACASA-N
SMILES:
CC(N1C[C@@H](C2=CC(=O)C(=O)C=C12)O)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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