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Home > Indoles and Oxindole > 1064662-61-8
1064662-61-8 | 2-(Hydroxymethyl)-7,9-Dihydro-2H-[1,4]Dioxino[2,3-E]Indol-8(3H)-One
CAS No: 1064662-61-8 Catalog No: AG01DK85 MDL No:MFCD30472122
Product Description
Catalog Number:
AG01DK85
Chemical Name:
2-(Hydroxymethyl)-7,9-Dihydro-2H-[1,4]Dioxino[2,3-E]Indol-8(3H)-One
CAS Number:
1064662-61-8
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD30472122
IUPAC Name:
2-(hydroxymethyl)-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
InChI:
InChI=1S/C11H11NO4/c13-4-6-5-15-9-2-1-8-7(11(9)16-6)3-10(14)12-8/h1-2,6,13H,3-5H2,(H,12,14)
InChI Key:
GGBFHOQAJFZFMQ-UHFFFAOYSA-N
SMILES:
OCC1COc2c(O1)c1CC(=O)Nc1cc2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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