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84639-91-8 | 1H-Indole-4-carboxaldehyde, 1-acetyl-7-(phenylmethoxy)-
CAS No: 84639-91-8 Catalog No: AG008H4Q MDL No:
Product Description
Catalog Number:
AG008H4Q
Chemical Name:
1H-Indole-4-carboxaldehyde, 1-acetyl-7-(phenylmethoxy)-
CAS Number:
84639-91-8
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
1-acetyl-7-phenylmethoxyindole-4-carbaldehyde
InChI:
InChI=1S/C18H15NO3/c1-13(21)19-10-9-16-15(11-20)7-8-17(18(16)19)22-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChI Key:
NCSUZLCBMXVIMD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1ccn2C(=O)C)OCc1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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