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76195-80-7 | 1H-Indole-3-carboxaldehyde, 2-(4-methoxyphenyl)-
CAS No: 76195-80-7 Catalog No: AG005EYU MDL No:
Product Description
Catalog Number:
AG005EYU
Chemical Name:
1H-Indole-3-carboxaldehyde, 2-(4-methoxyphenyl)-
CAS Number:
76195-80-7
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)16-14(10-18)13-4-2-3-5-15(13)17-16/h2-10,17H,1H3
InChI Key:
QIMWZVMNUAWWSJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c2c(c1C=O)cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| [(2-Phenylindol-3-yl)methylene]propanedinitriles inhibit the growth of breast cancer cells by cell cycle arrest in G(2)/M phase and apoptosis. | Bioorganic & medicinal chemistry 20071201 |
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