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Home > Indoles and Oxindole > 122631-41-8
122631-41-8 | 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-
CAS No: 122631-41-8 Catalog No: AG007OY3 MDL No:
Product Description
Catalog Number:
AG007OY3
Chemical Name:
1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-
CAS Number:
122631-41-8
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
1,2-dimethyl-3-(2-nitroethenyl)indole
InChI:
InChI=1S/C12H12N2O2/c1-9-10(7-8-14(15)16)11-5-3-4-6-12(11)13(9)2/h3-8H,1-2H3
InChI Key:
XASGEICHPWXWJC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C=C/c1c(C)n(c2c1cccc2)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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