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83824-10-6 | 1H-Indole-1-carboxaldehyde, 3-methyl-2-phenyl-
CAS No: 83824-10-6 Catalog No: AG004S6G MDL No:
Product Description
Catalog Number:
AG004S6G
Chemical Name:
1H-Indole-1-carboxaldehyde, 3-methyl-2-phenyl-
CAS Number:
83824-10-6
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
3-methyl-2-phenylindole-1-carbaldehyde
InChI:
InChI=1S/C16H13NO/c1-12-14-9-5-6-10-15(14)17(11-18)16(12)13-7-3-2-4-8-13/h2-11H,1H3
InChI Key:
PHFIWUBJBPPXMK-UHFFFAOYSA-N
SMILES:
O=Cn1c2ccccc2c(c1c1ccccc1)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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