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Home > Indoles and Oxindole > 127869-63-0
127869-63-0 | 1H-Indole-4,5-dione, 3-(2-hydroxyethyl)-
CAS No: 127869-63-0 Catalog No: AG000XHO MDL No:
Product Description
Catalog Number:
AG000XHO
Chemical Name:
1H-Indole-4,5-dione, 3-(2-hydroxyethyl)-
CAS Number:
127869-63-0
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
3-(2-hydroxyethyl)-1H-indole-4,5-dione
InChI:
InChI=1S/C10H9NO3/c12-4-3-6-5-11-7-1-2-8(13)10(14)9(6)7/h1-2,5,11-12H,3-4H2
InChI Key:
AOTOCXAVPLNVNV-UHFFFAOYSA-N
SMILES:
OCCc1c[nH]c2c1C(=O)C(=O)C=C2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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