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Home > Indoles and Oxindole > 1640-39-7
1640-39-7 | 3H-Indole, 2,3,3-trimethyl-
CAS No: 1640-39-7 Catalog No: AG001UL4 MDL No:MFCD00005724
Product Description
Catalog Number:
AG001UL4
Chemical Name:
3H-Indole, 2,3,3-trimethyl-
CAS Number:
1640-39-7
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD00005724
IUPAC Name:
2,3,3-trimethylindole
InChI:
InChI=1S/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3
InChI Key:
FLHJIAFUWHPJRT-UHFFFAOYSA-N
SMILES:
CC1=Nc2c(C1(C)C)cccc2
EC Number:
216-685-6
NSC Number:
65633
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Squarylium-based chromogenic anion sensors. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120901 |
| 1-(5-Carboxy-pent-yl)-2,3,3-trimethyl-3H-indol-1-ium bromide monohydrate. | Acta crystallographica. Section E, Structure reports online 20100101 |
| A second monoclinic polymorph of 2-(diformyl-methyl-idene)-3,3-dimethyl-2,3-dihydro-1H-indole. | Acta crystallographica. Section E, Structure reports online 20091001 |
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