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Home > Indoles and Oxindole > 1022-04-4
1022-04-4 | 1H-Indole, 7-methoxy-3-(2-nitro-1-propen-1-yl)-
CAS No: 1022-04-4 Catalog No: AG0006WB MDL No:
Product Description
Catalog Number:
AG0006WB
Chemical Name:
1H-Indole, 7-methoxy-3-(2-nitro-1-propen-1-yl)-
CAS Number:
1022-04-4
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
7-methoxy-3-(2-nitroprop-1-enyl)-1H-indole
InChI:
InChI=1S/C12H12N2O3/c1-8(14(15)16)6-9-7-13-12-10(9)4-3-5-11(12)17-2/h3-7,13H,1-2H3
InChI Key:
KBIUBHLOIZFKLV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=Cc1c[nH]c2c1cccc2OC)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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