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Home > Indoles and Oxindole > 398459-19-3
398459-19-3 | 3H-Indole, 3,3-dimethyl-6-phenyl-
CAS No: 398459-19-3 Catalog No: AG0076WC MDL No:
Product Description
Catalog Number:
AG0076WC
Chemical Name:
3H-Indole, 3,3-dimethyl-6-phenyl-
CAS Number:
398459-19-3
Molecular Formula:
C16H15N
Molecular Weight:
221.2970
IUPAC Name:
3,3-dimethyl-6-phenylindole
InChI:
InChI=1S/C16H15N/c1-16(2)11-17-15-10-13(8-9-14(15)16)12-6-4-3-5-7-12/h3-11H,1-2H3
InChI Key:
CQUVPLGNIXAAKW-UHFFFAOYSA-N
SMILES:
CC1(C)C=Nc2c1ccc(c2)c1ccccc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.303g/mol
Monoisotopic Mass:
221.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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