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Home > Indoles and Oxindole > 114479-11-7
114479-11-7 | Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl-
CAS No: 114479-11-7 Catalog No: AG000EID MDL No:
Product Description
Catalog Number:
AG000EID
Chemical Name:
Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl-
CAS Number:
114479-11-7
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
2-(3,3-dimethylindol-2-yl)-4-methylphenol
InChI:
InChI=1S/C17H17NO/c1-11-8-9-15(19)12(10-11)16-17(2,3)13-6-4-5-7-14(13)18-16/h4-10,19H,1-3H3
InChI Key:
CIHJCGSRUKDBSR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C1=Nc2c(C1(C)C)cccc2)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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