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53761-43-6 | 4,5,8-trimethylquinolin-2-ol
CAS No: 53761-43-6 Catalog No: AG01AFVT MDL No:MFCD11868957
Product Description
Catalog Number:
AG01AFVT
Chemical Name:
4,5,8-trimethylquinolin-2-ol
CAS Number:
53761-43-6
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD11868957
IUPAC Name:
4,5,8-trimethyl-1H-quinolin-2-one
InChI:
InChI=1S/C12H13NO/c1-7-4-5-8(2)12-11(7)9(3)6-10(14)13-12/h4-6H,1-3H3,(H,13,14)
InChI Key:
QWUGOXHPDJPRLE-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c2c(n1)c(C)ccc2C
NSC Number:
109754
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:
1
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
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