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Home > Indoles and Oxindole > 69111-76-8
69111-76-8 | 1H-Indole, 1-methoxy-3-(2-nitroethenyl)-
CAS No: 69111-76-8 Catalog No: AG005L7X MDL No:
Product Description
Catalog Number:
AG005L7X
Chemical Name:
1H-Indole, 1-methoxy-3-(2-nitroethenyl)-
CAS Number:
69111-76-8
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
1-methoxy-3-(2-nitroethenyl)indole
InChI:
InChI=1S/C11H10N2O3/c1-16-12-8-9(6-7-13(14)15)10-4-2-3-5-11(10)12/h2-8H,1H3
InChI Key:
MLYPCEODUGJFFA-UHFFFAOYSA-N
SMILES:
COn1cc(c2c1cccc2)C=C[N+](=O)[O-]
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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