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Home > Indoles and Oxindole > 784-06-5
784-06-5 | 4,5,6-trimethoxyindoline-2,3-dione
CAS No: 784-06-5 Catalog No: AG00GA1S MDL No:MFCD09728909
Product Description
Catalog Number:
AG00GA1S
Chemical Name:
4,5,6-trimethoxyindoline-2,3-dione
CAS Number:
784-06-5
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
MDL Number:
MFCD09728909
IUPAC Name:
4,5,6-trimethoxy-1H-indole-2,3-dione
InChI:
InChI=1S/C11H11NO5/c1-15-6-4-5-7(8(13)11(14)12-5)10(17-3)9(6)16-2/h4H,1-3H3,(H,12,13,14)
InChI Key:
XZLYLEIECXYKNJ-UHFFFAOYSA-N
SMILES:
COc1cc2NC(=O)C(=O)c2c(c1OC)OC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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