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148104-31-8

148104-31-8 | Quinolinol, (1,1-dimethylethyl)- (9CI)

CAS No: 148104-31-8 Catalog No: AG001FFV MDL No:

Product Description

Catalog Number:
AG001FFV
Chemical Name:
Quinolinol, (1,1-dimethylethyl)- (9CI)
CAS Number:
148104-31-8
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
3-tert-butyl-1H-quinolin-2-one
InChI:
InChI=1S/C13H15NO/c1-13(2,3)10-8-9-6-4-5-7-11(9)14-12(10)15/h4-8H,1-3H3,(H,14,15)
InChI Key:
FUWLWBDNQPTINE-UHFFFAOYSA-N
SMILES:
Oc1nc2ccccc2cc1C(C)(C)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:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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