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Home > Indoles and Oxindole > 138559-05-4
138559-05-4 | 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-
CAS No: 138559-05-4 Catalog No: AG007ZWM MDL No:
Product Description
Catalog Number:
AG007ZWM
Chemical Name:
3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-
CAS Number:
138559-05-4
Molecular Formula:
C13H18NO+
Molecular Weight:
204.2881
IUPAC Name:
2-(2,3,3-trimethylindol-1-ium-1-yl)ethanol
InChI:
InChI=1S/C13H18NO/c1-10-13(2,3)11-6-4-5-7-12(11)14(10)8-9-15/h4-7,15H,8-9H2,1-3H3/q+1
InChI Key:
BZGJYNHOQNJMCV-UHFFFAOYSA-N
SMILES:
OCC[N+]1=C(C)C(c2c1cccc2)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.139g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.293g/mol
Monoisotopic Mass:
204.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Stress sensing in polycaprolactone films via an embedded photochromic compound. | ACS applied materials & interfaces 20100623 |
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