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143833-01-6 | 1H-Indole-1-acetaldehyde, 3-(phenylmethyl)-
CAS No: 143833-01-6 Catalog No: AG001IG6 MDL No:
Product Description
Catalog Number:
AG001IG6
Chemical Name:
1H-Indole-1-acetaldehyde, 3-(phenylmethyl)-
CAS Number:
143833-01-6
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
2-(3-benzylindol-1-yl)acetaldehyde
InChI:
InChI=1S/C17H15NO/c19-11-10-18-13-15(12-14-6-2-1-3-7-14)16-8-4-5-9-17(16)18/h1-9,11,13H,10,12H2
InChI Key:
ZQEFVJUTYAHCDY-UHFFFAOYSA-N
SMILES:
O=CCn1cc(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
298
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:
4
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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