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65674-07-9 | 2,5,7-Trimethyl-4-quinolinol
CAS No: 65674-07-9 Catalog No: AG006PV8 MDL No:
Product Description
Catalog Number:
AG006PV8
Chemical Name:
2,5,7-Trimethyl-4-quinolinol
CAS Number:
65674-07-9
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
2,5,7-trimethyl-1H-quinolin-4-one
InChI:
InChI=1S/C12H13NO/c1-7-4-8(2)12-10(5-7)13-9(3)6-11(12)14/h4-6H,1-3H3,(H,13,14)
InChI Key:
RLAFUJHEIQCSIU-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)[nH]c(cc2=O)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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