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95202-45-2 | 1H-Indole-3-carboxaldehyde, 2-methyl-1-(phenylmethyl)-
CAS No: 95202-45-2 Catalog No: AG006OLJ MDL No:MFCD00433509
Product Description
Catalog Number:
AG006OLJ
Chemical Name:
1H-Indole-3-carboxaldehyde, 2-methyl-1-(phenylmethyl)-
CAS Number:
95202-45-2
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
MDL Number:
MFCD00433509
IUPAC Name:
1-benzyl-2-methylindole-3-carbaldehyde
InChI:
InChI=1S/C17H15NO/c1-13-16(12-19)15-9-5-6-10-17(15)18(13)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChI Key:
LFRXDIWPLQSKBS-UHFFFAOYSA-N
SMILES:
O=Cc1c2ccccc2n(c1C)Cc1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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